[2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol

C18H38N2O — CID 79567623

IUPAC[2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCCC1CCN(C)C(C)C(C)(C)C
InChIInChI=1S/C18H38N2O/c1-7-12-19-18(14-21)11-8-9-16(18)10-13-20(6)15(2)17(3,4)5/h15-16,19,21H,7-14H2,1-6H3
InChIKeyWFJFGPRZNHUPKI-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.27
Rot. Bonds8

About [2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol

[2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol (PubChem CID 79567623) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is [2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
PubChem CID79567623
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name[2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCCC1CCN(C)C(C)C(C)(C)C
InChIInChI=1S/C18H38N2O/c1-7-12-19-18(14-21)11-8-9-16(18)10-13-20(6)15(2)17(3,4)5/h15-16,19,21H,7-14H2,1-6H3
InChIKeyWFJFGPRZNHUPKI-UHFFFAOYSA-N
XLogP3.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol
CID 79571170
[2-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79570962
[2-[2-[methyl(2-methylpropyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79571507
[2-[2-[ethyl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79571443
[2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol
CID 79581095
[2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79581996
[2-[2-[methyl(oxan-4-yl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79568301
2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79563615
[2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 104968989
[1-(cyclopropylamino)-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentyl]methanol
CID 79571439
[2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol
CID 79580959
2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79566081

Frequently Asked Questions

What is the IUPAC name of [2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol (CID 79567623) is [2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCCC1CCN(C)C(C)C(C)(C)C.
What is the InChIKey of [2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol?
The InChIKey is WFJFGPRZNHUPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-7-12-19-18(14-21)11-8-9-16(18)10-13-20(6)15(2)17(3,4)5/h15-16,19,21H,7-14H2,1-6H3.
What are the key properties of [2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol?
[2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol has a molecular weight of 298.51 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79567623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).