3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol

C14H29NO — CID 115724563

IUPAC3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NC1C(C)CCCC1C
InChIInChI=1S/C14H29NO/c1-10(2)13(8-9-16)15-14-11(3)6-5-7-12(14)4/h10-16H,5-9H2,1-4H3
InChIKeyDDJQENRXGHWKET-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.81
Rot. Bonds5

About 3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol

3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol (PubChem CID 115724563) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol
PubChem CID115724563
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NC1C(C)CCCC1C
InChIInChI=1S/C14H29NO/c1-10(2)13(8-9-16)15-14-11(3)6-5-7-12(14)4/h10-16H,5-9H2,1-4H3
InChIKeyDDJQENRXGHWKET-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol
CID 97051545
trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol
CID 106349423
(2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol
CID 93082955
3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol
CID 115656026
3-(azepan-4-ylamino)-4-methylpentan-1-ol
CID 106348666
4-methyl-3-(oxepan-4-ylamino)pentan-1-ol
CID 103894941
(2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol
CID 104980900
3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol
CID 115724552
4-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 106348813
3-(1-cyclopentylethylamino)-4-methylpentan-1-ol
CID 115724580
3-[(3-methoxycyclobutyl)amino]-4-methylpentan-1-ol
CID 104871769
ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate
CID 61498288

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol (CID 115724563) is 3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol is CC(C)C(CCO)NC1C(C)CCCC1C.
What is the InChIKey of 3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol?
The InChIKey is DDJQENRXGHWKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-10(2)13(8-9-16)15-14-11(3)6-5-7-12(14)4/h10-16H,5-9H2,1-4H3.
What are the key properties of 3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol?
3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 115724563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).