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

C12H25NO — CID 83176423

IUPAC3-[(2,4-dimethylcyclohexyl)amino]butan-1-ol
SMILESCC1CCC(NC(C)CCO)C(C)C1
InChIInChI=1S/C12H25NO/c1-9-4-5-12(10(2)8-9)13-11(3)6-7-14/h9-14H,4-8H2,1-3H3
InChIKeyVYVIGQXDHVYMLC-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds4

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

3-[(2,4-dimethylcyclohexyl)amino]butan-1-ol (PubChem CID 83176423) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-[(2,4-dimethylcyclohexyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(2,4-dimethylcyclohexyl)amino]butan-1-ol
PubChem CID83176423
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-[(2,4-dimethylcyclohexyl)amino]butan-1-ol
SMILESCC1CCC(NC(C)CCO)C(C)C1
InChIInChI=1S/C12H25NO/c1-9-4-5-12(10(2)8-9)13-11(3)6-7-14/h9-14H,4-8H2,1-3H3
InChIKeyVYVIGQXDHVYMLC-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

2,4-dimethyl-N-octan-2-ylcyclohexan-1-amine
CID 63994075
2,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 63994492
2,4-dimethyl-N-pent-4-yn-2-ylcyclohexan-1-amine
CID 104531274
2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine
CID 64774304
2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 63993685
3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol
CID 115338788
2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide
CID 63995484
(4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol
CID 124710122
(2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide
CID 104537061
2,4-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine
CID 64761671
(2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107827924
N-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine
CID 81385364

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylcyclohexyl)amino]butan-1-ol?
The IUPAC name of 3-[(2,4-dimethylcyclohexyl)amino]butan-1-ol (CID 83176423) is 3-[(2,4-dimethylcyclohexyl)amino]butan-1-ol.
What is the SMILES notation for 3-[(2,4-dimethylcyclohexyl)amino]butan-1-ol?
The canonical SMILES for 3-[(2,4-dimethylcyclohexyl)amino]butan-1-ol is CC1CCC(NC(C)CCO)C(C)C1.
What is the InChIKey of 3-[(2,4-dimethylcyclohexyl)amino]butan-1-ol?
The InChIKey is VYVIGQXDHVYMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9-4-5-12(10(2)8-9)13-11(3)6-7-14/h9-14H,4-8H2,1-3H3.
What are the key properties of 3-[(2,4-dimethylcyclohexyl)amino]butan-1-ol?
3-[(2,4-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-[(2,4-dimethylcyclohexyl)amino]butan-1-ol is sourced from PubChem (CID 83176423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).