(7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine

C9H17N — CID 154934002

IUPAC(7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
SMILESCC1CC2CCC[C@@H]2CN1
InChIInChI=1S/C9H17N/c1-7-5-8-3-2-4-9(8)6-10-7/h7-10H,2-6H2,1H3/t7?,8?,9-/m1/s1
InChIKeyORRUHBWNOSPFNU-AMDVSUOASA-N
MW139.24 g/mol
LogP1.78
Rot. Bonds

About (7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine

(7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine (PubChem CID 154934002) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name(7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
PubChem CID154934002
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
SMILESCC1CC2CCC[C@@H]2CN1
InChIInChI=1S/C9H17N/c1-7-5-8-3-2-4-9(8)6-10-7/h7-10H,2-6H2,1H3/t7?,8?,9-/m1/s1
InChIKeyORRUHBWNOSPFNU-AMDVSUOASA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine with MolForge

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Related Compounds

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4-cyclopropyl-2-methylpiperidine
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CID 165117127
(3aS,7aS)-2,6-dimethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 142497849
5-cyclobutyl-2,3-dimethylpiperidine
CID 130560543
2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine
CID 106780697
2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide
CID 117269689
1-methyl-3-(5-methylpyrrolidin-3-yl)pyrrolidine
CID 117269613
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
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Frequently Asked Questions

What is the IUPAC name of (7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
The IUPAC name of (7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine (CID 154934002) is (7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine.
What is the SMILES notation for (7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
The canonical SMILES for (7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine is CC1CC2CCC[C@@H]2CN1.
What is the InChIKey of (7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
The InChIKey is ORRUHBWNOSPFNU-AMDVSUOASA-N. The full InChI is InChI=1S/C9H17N/c1-7-5-8-3-2-4-9(8)6-10-7/h7-10H,2-6H2,1H3/t7?,8?,9-/m1/s1.
What are the key properties of (7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
(7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine has a molecular weight of 139.24 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine is sourced from PubChem (CID 154934002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).