1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol

C16H31NO — CID 103159907

IUPAC1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
SMILESCC(C)CCN(CC(O)CC1CCCC1)C1CC1
InChIInChI=1S/C16H31NO/c1-13(2)9-10-17(15-7-8-15)12-16(18)11-14-5-3-4-6-14/h13-16,18H,3-12H2,1-2H3
InChIKeyFXNCRJVGYVHYOD-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds8

About 1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol

1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol (PubChem CID 103159907) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
PubChem CID103159907
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
SMILESCC(C)CCN(CC(O)CC1CCCC1)C1CC1
InChIInChI=1S/C16H31NO/c1-13(2)9-10-17(15-7-8-15)12-16(18)11-14-5-3-4-6-14/h13-16,18H,3-12H2,1-2H3
InChIKeyFXNCRJVGYVHYOD-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol
CID 82850075
1-cycloheptyl-5-methylhexan-2-ol
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1-(cyclopropylamino)-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
CID 78974043
1-cyclopentyl-7-methyloctane-2,5-diol
CID 103160953
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78973832
6-[cyclopentyl(2-methylpropyl)amino]hexan-3-ol
CID 106802461
N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 104746796
1-cyclopentyl-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 103159770
2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752726
1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 103159831
N-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine
CID 78975359
1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78974367

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol (CID 103159907) is 1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol is CC(C)CCN(CC(O)CC1CCCC1)C1CC1.
What is the InChIKey of 1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol?
The InChIKey is FXNCRJVGYVHYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13(2)9-10-17(15-7-8-15)12-16(18)11-14-5-3-4-6-14/h13-16,18H,3-12H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol?
1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol has a molecular weight of 253.43 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol is sourced from PubChem (CID 103159907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).