[3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol

C16H32N2O — CID 79656417

IUPAC[3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC(C)NC1(CO)CCC(N(C)CC2CCCC2)C1
InChIInChI=1S/C16H32N2O/c1-13(2)17-16(12-19)9-8-15(10-16)18(3)11-14-6-4-5-7-14/h13-15,17,19H,4-12H2,1-3H3
InChIKeyBNFIFZIHDNASOP-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.39
Rot. Bonds6

About [3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol

[3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79656417) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79656417
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC(C)NC1(CO)CCC(N(C)CC2CCCC2)C1
InChIInChI=1S/C16H32N2O/c1-13(2)17-16(12-19)9-8-15(10-16)18(3)11-14-6-4-5-7-14/h13-15,17,19H,4-12H2,1-3H3
InChIKeyBNFIFZIHDNASOP-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656830
[3-[cyclopentylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentyl]methanol
CID 79656502
3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651710
[3-[methyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656766
[3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656362
[3-[cyclopropylmethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656704
[3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635385
[3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635513
[3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640094
[3-[2-methylpropyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656468
[1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentyl]methanol
CID 79656509
[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol
CID 79647008

Frequently Asked Questions

What is the IUPAC name of [3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79656417) is [3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol is CC(C)NC1(CO)CCC(N(C)CC2CCCC2)C1.
What is the InChIKey of [3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is BNFIFZIHDNASOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)17-16(12-19)9-8-15(10-16)18(3)11-14-6-4-5-7-14/h13-15,17,19H,4-12H2,1-3H3.
What are the key properties of [3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol?
[3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79656417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).