(3R)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-amine

C13H17N — CID 130721895

IUPAC(3R)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-amine
SMILESN[C@@H]1CCc2c1ccc1c2CCCC1
InChIInChI=1S/C13H17N/c14-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)13/h5-6,13H,1-4,7-8,14H2/t13-/m1/s1
InChIKeyPKWDQUXCPVQSJI-CYBMUJFWSA-N
MW187.29 g/mol
LogP2.51
Rot. Bonds

About (3R)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-amine

(3R)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-amine (PubChem CID 130721895) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (3R)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-amine.

Molecular Properties

Compound Name(3R)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-amine
PubChem CID130721895
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(3R)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-amine
SMILESN[C@@H]1CCc2c1ccc1c2CCCC1
InChIInChI=1S/C13H17N/c14-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)13/h5-6,13H,1-4,7-8,14H2/t13-/m1/s1
InChIKeyPKWDQUXCPVQSJI-CYBMUJFWSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine
CID 129373275
(4R)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine;hydrochloride
CID 171252431
(1R)-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 134159261
(6R)-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-6-amine
CID 130741289
2-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 164817419
2,3-dihydro-1H-indene-1,4-diamine
CID 55293440
(1S)-5-bromo-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 131887016
(6S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-amine
CID 131062261
5-cyclopropyl-2,3-dihydro-1H-inden-4-amine
CID 162394390
(1S)-5-chloro-4-iodo-2,3-dihydro-1H-inden-1-amine
CID 130632392
(1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine
CID 130871328
4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine
CID 175262813

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-amine?
The IUPAC name of (3R)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-amine (CID 130721895) is (3R)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-amine.
What is the SMILES notation for (3R)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-amine?
The canonical SMILES for (3R)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-amine is N[C@@H]1CCc2c1ccc1c2CCCC1.
What is the InChIKey of (3R)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-amine?
The InChIKey is PKWDQUXCPVQSJI-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17N/c14-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)13/h5-6,13H,1-4,7-8,14H2/t13-/m1/s1.
What are the key properties of (3R)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-amine?
(3R)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-amine has a molecular weight of 187.29 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-amine is sourced from PubChem (CID 130721895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).