3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine

C15H31N — CID 81015222

IUPAC3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)C(C)C1CCCCC1
InChIInChI=1S/C15H31N/c1-12(2)10-16-11-13(3)14(4)15-8-6-5-7-9-15/h12-16H,5-11H2,1-4H3
InChIKeyREKKQCXJCAURHN-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.08
Rot. Bonds6

About 3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine

3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 81015222) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID81015222
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)C(C)C1CCCCC1
InChIInChI=1S/C15H31N/c1-12(2)10-16-11-13(3)14(4)15-8-6-5-7-9-15/h12-16H,5-11H2,1-4H3
InChIKeyREKKQCXJCAURHN-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclohexyl-N,2-dimethylbutan-1-amine
CID 81015775
2-methyl-N-(2-methylpropyl)-3-(4-propan-2-ylazepan-1-yl)butan-1-amine
CID 81018781
2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine
CID 112570163
CID 175939227
CID 175939227
[(3R)-3-methylpentan-2-yl]cyclopentane
CID 144516432
2-(cyclohexylmethyl)-N-(2-methylpropyl)pentan-1-amine
CID 55196028
N-[(1R)-1-cyclopentylethyl]-2-methylpropan-1-amine
CID 81394382
3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81011276
N-(2-cyclopentyl-2-phenylethyl)-2-methylpropan-1-amine
CID 82934095
N-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine
CID 107138091
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine
CID 105408541

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine (CID 81015222) is 3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(C)C(C)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is REKKQCXJCAURHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-12(2)10-16-11-13(3)14(4)15-8-6-5-7-9-15/h12-16H,5-11H2,1-4H3.
What are the key properties of 3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine?
3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 81015222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).