4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine

C17H35N — CID 63401489

IUPAC4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
SMILESCCCC(C)CC1CC(C(C)(C)C)CCC1NC
InChIInChI=1S/C17H35N/c1-7-8-13(2)11-14-12-15(17(3,4)5)9-10-16(14)18-6/h13-16,18H,7-12H2,1-6H3
InChIKeyOUENIEYMYFLARK-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.86
Rot. Bonds5

About 4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine

4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine (PubChem CID 63401489) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
PubChem CID63401489
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
SMILESCCCC(C)CC1CC(C(C)(C)C)CCC1NC
InChIInChI=1S/C17H35N/c1-7-8-13(2)11-14-12-15(17(3,4)5)9-10-16(14)18-6/h13-16,18H,7-12H2,1-6H3
InChIKeyOUENIEYMYFLARK-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine (CID 63401489) is 4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine is CCCC(C)CC1CC(C(C)(C)C)CCC1NC.
What is the InChIKey of 4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine?
The InChIKey is OUENIEYMYFLARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-7-8-13(2)11-14-12-15(17(3,4)5)9-10-16(14)18-6/h13-16,18H,7-12H2,1-6H3.
What are the key properties of 4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine?
4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine is sourced from PubChem (CID 63401489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).