2,4-dimethyl-N-(2,3,3-trimethylbutyl)cyclohexan-1-amine

C15H31N — CID 83143221

IUPAC2,4-dimethyl-N-(2,3,3-trimethylbutyl)cyclohexan-1-amine
SMILESCC1CCC(NCC(C)C(C)(C)C)C(C)C1
InChIInChI=1S/C15H31N/c1-11-7-8-14(12(2)9-11)16-10-13(3)15(4,5)6/h11-14,16H,7-10H2,1-6H3
InChIKeyWFEZZKIJDNJJIF-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.08
Rot. Bonds3

About 2,4-dimethyl-N-(2,3,3-trimethylbutyl)cyclohexan-1-amine

2,4-dimethyl-N-(2,3,3-trimethylbutyl)cyclohexan-1-amine (PubChem CID 83143221) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2,3,3-trimethylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-(2,3,3-trimethylbutyl)cyclohexan-1-amine
PubChem CID83143221
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name2,4-dimethyl-N-(2,3,3-trimethylbutyl)cyclohexan-1-amine
SMILESCC1CCC(NCC(C)C(C)(C)C)C(C)C1
InChIInChI=1S/C15H31N/c1-11-7-8-14(12(2)9-11)16-10-13(3)15(4,5)6/h11-14,16H,7-10H2,1-6H3
InChIKeyWFEZZKIJDNJJIF-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2,3,3-trimethylbutyl)cyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-N-(2,3,3-trimethylbutyl)cyclohexan-1-amine (CID 83143221) is 2,4-dimethyl-N-(2,3,3-trimethylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-(2,3,3-trimethylbutyl)cyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-(2,3,3-trimethylbutyl)cyclohexan-1-amine is CC1CCC(NCC(C)C(C)(C)C)C(C)C1.
What is the InChIKey of 2,4-dimethyl-N-(2,3,3-trimethylbutyl)cyclohexan-1-amine?
The InChIKey is WFEZZKIJDNJJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-11-7-8-14(12(2)9-11)16-10-13(3)15(4,5)6/h11-14,16H,7-10H2,1-6H3.
What are the key properties of 2,4-dimethyl-N-(2,3,3-trimethylbutyl)cyclohexan-1-amine?
2,4-dimethyl-N-(2,3,3-trimethylbutyl)cyclohexan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2,3,3-trimethylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 83143221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).