3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol

C14H29NO — CID 115656026

IUPAC3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol
SMILESCCC1CCCC(NC(CCO)C(C)C)C1
InChIInChI=1S/C14H29NO/c1-4-12-6-5-7-13(10-12)15-14(8-9-16)11(2)3/h11-16H,4-10H2,1-3H3
InChIKeyGWSFUQXYYMQYQO-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds6

About 3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol

3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol (PubChem CID 115656026) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol
PubChem CID115656026
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol
SMILESCCC1CCCC(NC(CCO)C(C)C)C1
InChIInChI=1S/C14H29NO/c1-4-12-6-5-7-13(10-12)15-14(8-9-16)11(2)3/h11-16H,4-10H2,1-3H3
InChIKeyGWSFUQXYYMQYQO-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

4-methyl-3-(oxepan-4-ylamino)pentan-1-ol
CID 103894941
3-(azepan-4-ylamino)-4-methylpentan-1-ol
CID 106348666
3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol
CID 115724563
4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine
CID 65088356
4-[(3-ethylcyclohexyl)amino]butan-2-ol
CID 64910708
2-[(3-ethylcyclopentyl)amino]-3-methylpentan-1-ol
CID 115891675
(2R)-2-[(3-ethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 103903038
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol
CID 106349423
3-[(3-methoxycyclobutyl)amino]-4-methylpentan-1-ol
CID 104871769
3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol
CID 115724552
1-(azepan-1-yl)-2-[(3-ethylcyclohexyl)amino]propan-1-one
CID 64741045

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol (CID 115656026) is 3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol is CCC1CCCC(NC(CCO)C(C)C)C1.
What is the InChIKey of 3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol?
The InChIKey is GWSFUQXYYMQYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-12-6-5-7-13(10-12)15-14(8-9-16)11(2)3/h11-16H,4-10H2,1-3H3.
What are the key properties of 3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol?
3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-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 3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 115656026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).