(6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine

C13H17N — CID 55272060

IUPAC(6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine
SMILESN[C@H]1CCc2cc3c(cc2C1)CCC3
InChIInChI=1S/C13H17N/c14-13-5-4-11-6-9-2-1-3-10(9)7-12(11)8-13/h6-7,13H,1-5,8,14H2/t13-/m0/s1
InChIKeyFLPUGDACTDKWBT-ZDUSSCGKSA-N
MW187.29 g/mol
LogP1.99
Rot. Bonds

About (6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine

(6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine (PubChem CID 55272060) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine.

Molecular Properties

Compound Name(6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine
PubChem CID55272060
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine
SMILESN[C@H]1CCc2cc3c(cc2C1)CCC3
InChIInChI=1S/C13H17N/c14-13-5-4-11-6-9-2-1-3-10(9)7-12(11)8-13/h6-7,13H,1-5,8,14H2/t13-/m0/s1
InChIKeyFLPUGDACTDKWBT-ZDUSSCGKSA-N
XLogP1.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine?
The IUPAC name of (6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine (CID 55272060) is (6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine.
What is the SMILES notation for (6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine?
The canonical SMILES for (6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine is N[C@H]1CCc2cc3c(cc2C1)CCC3.
What is the InChIKey of (6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine?
The InChIKey is FLPUGDACTDKWBT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N/c14-13-5-4-11-6-9-2-1-3-10(9)7-12(11)8-13/h6-7,13H,1-5,8,14H2/t13-/m0/s1.
What are the key properties of (6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine?
(6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine has a molecular weight of 187.29 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine is sourced from PubChem (CID 55272060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).