3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol

C13H27NO2 — CID 103158372

IUPAC3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)NCC(O)CC1CCCC1
InChIInChI=1S/C13H27NO2/c1-10(15)13(2,3)14-9-12(16)8-11-6-4-5-7-11/h10-12,14-16H,4-9H2,1-3H3
InChIKeyUCVKYQXZDDSIRH-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.68
Rot. Bonds6

About 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol

3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol (PubChem CID 103158372) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol
PubChem CID103158372
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)NCC(O)CC1CCCC1
InChIInChI=1S/C13H27NO2/c1-10(15)13(2,3)14-9-12(16)8-11-6-4-5-7-11/h10-12,14-16H,4-9H2,1-3H3
InChIKeyUCVKYQXZDDSIRH-UHFFFAOYSA-N
XLogP1.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 103158223
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide
CID 103274874
1-cyclopentyl-3-(1-cyclopentylethylamino)propan-2-ol
CID 103157832
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 103158287
1-cyclopentyl-3-hydrazinylpropan-2-ol
CID 103156923
1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol
CID 103158328
1-cycloheptyl-5-methylhexan-2-ol
CID 115783773
2-[(3-cyclopentyl-2-hydroxypropyl)amino]-N-methylacetamide
CID 103157245
1-cyclopentyl-7-methyloctane-2,5-diol
CID 103160953
3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol
CID 115881296
1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 103157182
(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 157185666

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol?
The IUPAC name of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol (CID 103158372) is 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol.
What is the SMILES notation for 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol?
The canonical SMILES for 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol is CC(O)C(C)(C)NCC(O)CC1CCCC1.
What is the InChIKey of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol?
The InChIKey is UCVKYQXZDDSIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(15)13(2,3)14-9-12(16)8-11-6-4-5-7-11/h10-12,14-16H,4-9H2,1-3H3.
What are the key properties of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol?
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol is sourced from PubChem (CID 103158372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).