2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone

C15H26N2O — CID 82767365

IUPAC2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone
SMILESCC1(C(=O)N2CCCC3CCCC32)CCCC1N
InChIInChI=1S/C15H26N2O/c1-15(9-3-8-13(15)16)14(18)17-10-4-6-11-5-2-7-12(11)17/h11-13H,2-10,16H2,1H3
InChIKeyVUJBDLGZCTYZTR-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.30
Rot. Bonds1

About 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone (PubChem CID 82767365) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone
PubChem CID82767365
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone
SMILESCC1(C(=O)N2CCCC3CCCC32)CCCC1N
InChIInChI=1S/C15H26N2O/c1-15(9-3-8-13(15)16)14(18)17-10-4-6-11-5-2-7-12(11)17/h11-13H,2-10,16H2,1H3
InChIKeyVUJBDLGZCTYZTR-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-amino-3-methyloxolan-3-yl)methanone
CID 66250603
1-(2-amino-1-methylcyclopentanecarbonyl)piperidine-2-carboxamide
CID 82765624
(2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone
CID 63122988
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone
CID 130991613
methyl 2-[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-2-yl]acetate
CID 82768133
4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione
CID 82768178
(2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 82768525
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 77065268
(1R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 129318014
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
(2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 82767947
1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide
CID 80589331

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone (CID 82767365) is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone is CC1(C(=O)N2CCCC3CCCC32)CCCC1N.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone?
The InChIKey is VUJBDLGZCTYZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(9-3-8-13(15)16)14(18)17-10-4-6-11-5-2-7-12(11)17/h11-13H,2-10,16H2,1H3.
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone?
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone has a molecular weight of 250.39 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone is sourced from PubChem (CID 82767365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).