2,3,4,4a,5,6-hexahydro-1H-cyclopenta[c]pyridin-1-amine

C8H14N2 — CID 141384254

IUPAC2,3,4,4a,5,6-hexahydro-1H-cyclopenta[c]pyridin-1-amine
SMILESNC1NCCC2CCC=C21
InChIInChI=1S/C8H14N2/c9-8-7-3-1-2-6(7)4-5-10-8/h3,6,8,10H,1-2,4-5,9H2
InChIKeyGIWSACZRBZKXLH-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.60
Rot. Bonds

About 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[c]pyridin-1-amine

2,3,4,4a,5,6-hexahydro-1H-cyclopenta[c]pyridin-1-amine (PubChem CID 141384254) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[c]pyridin-1-amine.

Molecular Properties

Compound Name2,3,4,4a,5,6-hexahydro-1H-cyclopenta[c]pyridin-1-amine
PubChem CID141384254
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2,3,4,4a,5,6-hexahydro-1H-cyclopenta[c]pyridin-1-amine
SMILESNC1NCCC2CCC=C21
InChIInChI=1S/C8H14N2/c9-8-7-3-1-2-6(7)4-5-10-8/h3,6,8,10H,1-2,4-5,9H2
InChIKeyGIWSACZRBZKXLH-UHFFFAOYSA-N
XLogP0.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Hexahydro-cyclopenta(c)pyridine
CID 69895823
Pyridine, 1,2,3,6-tetrahydro-4-(4-piperidinyl)-
CID 5231471
2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridine
CID 67757833
2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-amine
CID 19379788
3-Azabicyclo[3.2.1]oct-1(7)-ene
CID 57766360
2,3,4,4a,5,7a-hexahydro-1H-cyclopenta[b]pyridine
CID 67351864
2,3,4,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine
CID 69574347
5-Piperidin-3-yl-1,2,3,6-tetrahydropyridine
CID 90915270
2,3,3a,4,5,6-hexahydro-1H-isoindol-1-amine
CID 129715653
1,2,3,4,4a,5,6,7-Octahydroisoquinolin-1-amine
CID 151010212
3-(2,5-dihydro-1H-pyrrol-3-ylmethyl)-1-methylpiperidine
CID 155180863
(E)-N-methyl-3-(1-methylpiperidin-4-yl)pent-2-en-1-amine
CID 156424071

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[c]pyridin-1-amine?
The IUPAC name of 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[c]pyridin-1-amine (CID 141384254) is 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[c]pyridin-1-amine.
What is the SMILES notation for 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[c]pyridin-1-amine?
The canonical SMILES for 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[c]pyridin-1-amine is NC1NCCC2CCC=C21.
What is the InChIKey of 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[c]pyridin-1-amine?
The InChIKey is GIWSACZRBZKXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c9-8-7-3-1-2-6(7)4-5-10-8/h3,6,8,10H,1-2,4-5,9H2.
What are the key properties of 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[c]pyridin-1-amine?
2,3,4,4a,5,6-hexahydro-1H-cyclopenta[c]pyridin-1-amine has a molecular weight of 138.21 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6-hexahydro-1H-cyclopenta[c]pyridin-1-amine is sourced from PubChem (CID 141384254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).