1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol

C14H29NO — CID 66179546

IUPAC1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol
SMILESCCC1CCC(NCC(C)(O)CC(C)C)C1
InChIInChI=1S/C14H29NO/c1-5-12-6-7-13(8-12)15-10-14(4,16)9-11(2)3/h11-13,15-16H,5-10H2,1-4H3
InChIKeyXXMBJVHWGDATQO-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds6

About 1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol

1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 66179546) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol
PubChem CID66179546
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol
SMILESCCC1CCC(NCC(C)(O)CC(C)C)C1
InChIInChI=1S/C14H29NO/c1-5-12-6-7-13(8-12)15-10-14(4,16)9-11(2)3/h11-13,15-16H,5-10H2,1-4H3
InChIKeyXXMBJVHWGDATQO-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol
CID 66180282
1-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol
CID 66335215
1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol
CID 111466864
2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol
CID 114817743
3-[(4-ethylcycloheptyl)amino]-2-methylpropane-1,2-diol
CID 66169877
1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol
CID 66178779
1-(2-adamantylamino)-2,4-dimethylpentan-2-ol
CID 66179718
2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol
CID 66181051
2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol
CID 66178563
N-ethyl-3-(2-methylpropyl)cyclopentan-1-amine
CID 64504045
2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
CID 66178990
1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol
CID 66179964

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol (CID 66179546) is 1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol is CCC1CCC(NCC(C)(O)CC(C)C)C1.
What is the InChIKey of 1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is XXMBJVHWGDATQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-12-6-7-13(8-12)15-10-14(4,16)9-11(2)3/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol?
1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66179546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).