5-(1-cyclohexylethylamino)-4-methylpentan-2-ol

C14H29NO — CID 111755682

IUPAC5-(1-cyclohexylethylamino)-4-methylpentan-2-ol
SMILESCC(O)CC(C)CNC(C)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-11(9-12(2)16)10-15-13(3)14-7-5-4-6-8-14/h11-16H,4-10H2,1-3H3
InChIKeyLRQQSMNGXGNLJV-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds6

About 5-(1-cyclohexylethylamino)-4-methylpentan-2-ol

5-(1-cyclohexylethylamino)-4-methylpentan-2-ol (PubChem CID 111755682) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 5-(1-cyclohexylethylamino)-4-methylpentan-2-ol.

Molecular Properties

Compound Name5-(1-cyclohexylethylamino)-4-methylpentan-2-ol
PubChem CID111755682
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name5-(1-cyclohexylethylamino)-4-methylpentan-2-ol
SMILESCC(O)CC(C)CNC(C)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-11(9-12(2)16)10-15-13(3)14-7-5-4-6-8-14/h11-16H,4-10H2,1-3H3
InChIKeyLRQQSMNGXGNLJV-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

Analyze 5-(1-cyclohexylethylamino)-4-methylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol
CID 94524291
(2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine
CID 94431803
(2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
CID 93082136
N-[(1R)-1-cyclopentylethyl]-2-methylpropan-1-amine
CID 81394382
3-(1-cyclopentylethylamino)propane-1,2-diol
CID 66177375
N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904275
1-cyclopentyl-3-(1-cyclopentylethylamino)propan-2-ol
CID 103157832
1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol
CID 81393172
1-[[(1R)-1-cyclohexylethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81385135
1-(1-cyclopentylethylamino)pentan-2-ol
CID 115719405
5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol
CID 115722950
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylethylamino)-4-methylpentan-2-ol?
The IUPAC name of 5-(1-cyclohexylethylamino)-4-methylpentan-2-ol (CID 111755682) is 5-(1-cyclohexylethylamino)-4-methylpentan-2-ol.
What is the SMILES notation for 5-(1-cyclohexylethylamino)-4-methylpentan-2-ol?
The canonical SMILES for 5-(1-cyclohexylethylamino)-4-methylpentan-2-ol is CC(O)CC(C)CNC(C)C1CCCCC1.
What is the InChIKey of 5-(1-cyclohexylethylamino)-4-methylpentan-2-ol?
The InChIKey is LRQQSMNGXGNLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(9-12(2)16)10-15-13(3)14-7-5-4-6-8-14/h11-16H,4-10H2,1-3H3.
What are the key properties of 5-(1-cyclohexylethylamino)-4-methylpentan-2-ol?
5-(1-cyclohexylethylamino)-4-methylpentan-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 5-(1-cyclohexylethylamino)-4-methylpentan-2-ol is sourced from PubChem (CID 111755682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).