Chemical Components in the PDB

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1Y5 : Summary

Code

1Y5

One-letter code

X

Molecule name

(1R)-1,2,3,4-tetrahydronaphthalen-1-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 (1R)-1,2,3,4-tetrahydronaphthalen-1-amine
OpenEye OEToolkits 1.7.6 (1R)-1,2,3,4-tetrahydronaphthalen-1-amine

Formula

C10 H13 N

Formal charge

0

Molecular weight

147.217 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1ccc2c(c1)CCCC2N
SMILES CACTVS 3.385 N[CH]1CCCc2ccccc12
SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)CCCC2N
Canonical SMILES CACTVS 3.385 N[C@@H]1CCCc2ccccc12
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)CCC[C@H]2N

IUPAC InChI

InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2/t10-/m1/s1

IUPAC InChI key

JRZGPXSSNPTNMA-SNVBAGLBSA-N

Is part of

1BG
1Y5

wwPDB Information

Atom count

24 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-07-31

Last modified at

2013-08-02

Status

Released

Obsoleted

Not Assigned