[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol

C15H28N2O — CID 79656071

IUPAC[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCC(N2CCCC3CCCC32)C1
InChIInChI=1S/C15H28N2O/c1-16-15(11-18)8-7-13(10-15)17-9-3-5-12-4-2-6-14(12)17/h12-14,16,18H,2-11H2,1H3
InChIKeyQYWJQQQDDNQIHA-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.75
Rot. Bonds3

About [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol

[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol (PubChem CID 79656071) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol
PubChem CID79656071
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCC(N2CCCC3CCCC32)C1
InChIInChI=1S/C15H28N2O/c1-16-15(11-18)8-7-13(10-15)17-9-3-5-12-4-2-6-14(12)17/h12-14,16,18H,2-11H2,1H3
InChIKeyQYWJQQQDDNQIHA-UHFFFAOYSA-N
XLogP1.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol
CID 79640172
[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(methylamino)cyclopentyl]methanol
CID 79656827
[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-(methylamino)cyclopentyl]methanol
CID 81205829
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 102727930
[1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol
CID 79640087
3-(2-cyclopentylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625200
[3-(3,4-dimethylpyrrolidin-1-yl)-1-(methylamino)cyclopentyl]methanol
CID 79646760
[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol
CID 82751207
[1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentyl]methanol
CID 79656929
[3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclopentyl]methanol
CID 79656046
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639789
[3-cyclopropyl-1-(methylamino)cyclohexyl]methanol
CID 64623011

Frequently Asked Questions

What is the IUPAC name of [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol?
The IUPAC name of [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol (CID 79656071) is [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol is CNC1(CO)CCC(N2CCCC3CCCC32)C1.
What is the InChIKey of [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol?
The InChIKey is QYWJQQQDDNQIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-16-15(11-18)8-7-13(10-15)17-9-3-5-12-4-2-6-14(12)17/h12-14,16,18H,2-11H2,1H3.
What are the key properties of [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol?
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol has a molecular weight of 252.40 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol is sourced from PubChem (CID 79656071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).