[1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol

C16H30N2O — CID 79640087

IUPAC[1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol
SMILESNC1(CO)CCCC(N2CCCC2C2CCCC2)C1
InChIInChI=1S/C16H30N2O/c17-16(12-19)9-3-7-14(11-16)18-10-4-8-15(18)13-5-1-2-6-13/h13-15,19H,1-12,17H2
InChIKeyPTEDZRFMCDJMTO-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.27
Rot. Bonds3

About [1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol

[1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol (PubChem CID 79640087) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is [1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol
PubChem CID79640087
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name[1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol
SMILESNC1(CO)CCCC(N2CCCC2C2CCCC2)C1
InChIInChI=1S/C16H30N2O/c17-16(12-19)9-3-7-14(11-16)18-10-4-8-15(18)13-5-1-2-6-13/h13-15,19H,1-12,17H2
InChIKeyPTEDZRFMCDJMTO-UHFFFAOYSA-N
XLogP2.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol
CID 82751207
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-aminocyclohexyl]methanol
CID 79640625
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol
CID 79640172
[1-amino-3-(2,5-dimethylpiperidin-1-yl)cyclohexyl]methanol
CID 79641278
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol
CID 79656071
(3-amino-1-cyclopentylpiperidin-3-yl)methanol
CID 115021565
[1-amino-3-(3-ethylpiperidin-1-yl)cyclohexyl]methanol
CID 79640939
[1-amino-3-(3,4-dimethylpiperazin-1-yl)cyclohexyl]methanol
CID 79634080
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 102727945
3-(2-cyclopentylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625200
[1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol
CID 79641042
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79646112

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol?
The IUPAC name of [1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol (CID 79640087) is [1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol is NC1(CO)CCCC(N2CCCC2C2CCCC2)C1.
What is the InChIKey of [1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol?
The InChIKey is PTEDZRFMCDJMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c17-16(12-19)9-3-7-14(11-16)18-10-4-8-15(18)13-5-1-2-6-13/h13-15,19H,1-12,17H2.
What are the key properties of [1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol?
[1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol has a molecular weight of 266.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol is sourced from PubChem (CID 79640087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).