3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol

C12H25NO — CID 115338788

IUPAC3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol
SMILESCC1CC(C)CC(NC(C)CCO)C1
InChIInChI=1S/C12H25NO/c1-9-6-10(2)8-12(7-9)13-11(3)4-5-14/h9-14H,4-8H2,1-3H3
InChIKeyRPTNPKPPLXLKBC-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds4

About 3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol

3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol (PubChem CID 115338788) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol
PubChem CID115338788
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol
SMILESCC1CC(C)CC(NC(C)CCO)C1
InChIInChI=1S/C12H25NO/c1-9-6-10(2)8-12(7-9)13-11(3)4-5-14/h9-14H,4-8H2,1-3H3
InChIKeyRPTNPKPPLXLKBC-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]pentan-1-ol
CID 124678440
(3R)-3-(cyclopentylamino)butan-1-ol
CID 103854696
3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
CID 21034318
3-[(3,5-dimethylcyclohexyl)amino]butanenitrile
CID 64722971
3-[(2,4-dimethylcyclohexyl)amino]butan-1-ol
CID 83176423
N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine
CID 64732467
(2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol
CID 95368773
(2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol
CID 124576040
(2S)-2-[(3-methylcyclopentyl)amino]propan-1-ol
CID 103773858
tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 83178088
(3R)-3-[(1-ethylpiperidin-4-yl)amino]butan-1-ol
CID 103914392
(3R)-3-(oxan-3-ylamino)butan-1-ol
CID 103871769

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol?
The IUPAC name of 3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol (CID 115338788) is 3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol.
What is the SMILES notation for 3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol?
The canonical SMILES for 3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol is CC1CC(C)CC(NC(C)CCO)C1.
What is the InChIKey of 3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol?
The InChIKey is RPTNPKPPLXLKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9-6-10(2)8-12(7-9)13-11(3)4-5-14/h9-14H,4-8H2,1-3H3.
What are the key properties of 3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol?
3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol is sourced from PubChem (CID 115338788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).