3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine

C17H35N — CID 81034089

IUPAC3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)C1CCC(C)C(C)C1
InChIInChI=1S/C17H35N/c1-13(2)12-18-10-9-17(5,6)16-8-7-14(3)15(4)11-16/h13-16,18H,7-12H2,1-6H3
InChIKeyKZOCCVQCKCMSQE-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.72
Rot. Bonds6

About 3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine

3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 81034089) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID81034089
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)C1CCC(C)C(C)C1
InChIInChI=1S/C17H35N/c1-13(2)12-18-10-9-17(5,6)16-8-7-14(3)15(4)11-16/h13-16,18H,7-12H2,1-6H3
InChIKeyKZOCCVQCKCMSQE-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine
CID 81022684
5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine
CID 64738324
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine
CID 106730330
2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 83159358
2-(3-ethylcyclohexyl)-1-(2-methylpropylamino)propan-2-ol
CID 66037758
2-(3,4-dimethylcyclohexyl)-2-methylpropanal
CID 130743501
2-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 60985078
3-cyclopentyl-N-ethyl-3-methylbutan-1-amine
CID 81023788
N-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 64738083
2,5-dimethyl-N-(2-methylpropyl)cyclopentan-1-amine
CID 130735335
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal
CID 66038858

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 81034089) is 3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCC(C)(C)C1CCC(C)C(C)C1.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is KZOCCVQCKCMSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-13(2)12-18-10-9-17(5,6)16-8-7-14(3)15(4)11-16/h13-16,18H,7-12H2,1-6H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 81034089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).