3-(1-cyclohexylethylamino)-3-methylpentan-1-ol

C14H29NO — CID 115921126

IUPAC3-(1-cyclohexylethylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NC(C)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-4-14(3,10-11-16)15-12(2)13-8-6-5-7-9-13/h12-13,15-16H,4-11H2,1-3H3
InChIKeyXBXUYHGHKWZDQN-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.10
Rot. Bonds6

About 3-(1-cyclohexylethylamino)-3-methylpentan-1-ol

3-(1-cyclohexylethylamino)-3-methylpentan-1-ol (PubChem CID 115921126) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-(1-cyclohexylethylamino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(1-cyclohexylethylamino)-3-methylpentan-1-ol
PubChem CID115921126
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-(1-cyclohexylethylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NC(C)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-4-14(3,10-11-16)15-12(2)13-8-6-5-7-9-13/h12-13,15-16H,4-11H2,1-3H3
InChIKeyXBXUYHGHKWZDQN-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine
CID 58459053
1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111507119
3-methyl-N-[1-(oxan-4-yl)ethyl]pentan-3-amine
CID 115920350
3-(1-cyclohexylpropylamino)-3-methylbutan-1-ol
CID 115920572
3-[(4,4-dimethylcyclohexyl)amino]-3-methylpentan-1-ol
CID 115908222
1-(1-cyclohexylethylamino)-2-methylbutan-2-ol
CID 65108537
3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol
CID 115908227
3-methyl-3-[1-(oxolan-3-yl)propylamino]pentan-1-ol
CID 115921108
trans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol
CID 106175555
3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol
CID 113438636
4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
CID 81391896
4-[[(1S)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol
CID 81384605

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylethylamino)-3-methylpentan-1-ol?
The IUPAC name of 3-(1-cyclohexylethylamino)-3-methylpentan-1-ol (CID 115921126) is 3-(1-cyclohexylethylamino)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(1-cyclohexylethylamino)-3-methylpentan-1-ol?
The canonical SMILES for 3-(1-cyclohexylethylamino)-3-methylpentan-1-ol is CCC(C)(CCO)NC(C)C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexylethylamino)-3-methylpentan-1-ol?
The InChIKey is XBXUYHGHKWZDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-14(3,10-11-16)15-12(2)13-8-6-5-7-9-13/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of 3-(1-cyclohexylethylamino)-3-methylpentan-1-ol?
3-(1-cyclohexylethylamino)-3-methylpentan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylethylamino)-3-methylpentan-1-ol is sourced from PubChem (CID 115921126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).