[2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol

C16H32N2O — CID 79571310

IUPAC[2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC1CCN(CCC2CCCC2(CO)NC(C)C)C1
InChIInChI=1S/C16H32N2O/c1-13(2)17-16(12-19)8-4-5-15(16)7-10-18-9-6-14(3)11-18/h13-15,17,19H,4-12H2,1-3H3
InChIKeyIUFMHQZPVQQIMH-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.25
Rot. Bonds6

About [2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol

[2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79571310) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79571310
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC1CCN(CCC2CCCC2(CO)NC(C)C)C1
InChIInChI=1S/C16H32N2O/c1-13(2)17-16(12-19)8-4-5-15(16)7-10-18-9-6-14(3)11-18/h13-15,17,19H,4-12H2,1-3H3
InChIKeyIUFMHQZPVQQIMH-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571574
[2-(2-piperidin-1-ylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571987
[2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79567766
[2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571011
[2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571423
[2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol
CID 79570944
[2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571164
[1-(methylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol
CID 79571001
[2-(2-methoxyethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79581006
[2-[2-(4-methylcyclohexyl)oxyethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79586748
[2-[2-(4-tert-butylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79572951
1-(ethylamino)-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79564742

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79571310) is [2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol is CC1CCN(CCC2CCCC2(CO)NC(C)C)C1.
What is the InChIKey of [2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is IUFMHQZPVQQIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)17-16(12-19)8-4-5-15(16)7-10-18-9-6-14(3)11-18/h13-15,17,19H,4-12H2,1-3H3.
What are the key properties of [2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
[2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79571310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).