4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine

C13H27N — CID 155402155

IUPAC4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCCC1CCC(N(C)CC(C)C)CC1
InChIInChI=1S/C13H27N/c1-5-12-6-8-13(9-7-12)14(4)10-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyVCNBRASTWQDFOC-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds4

About 4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine

4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 155402155) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
PubChem CID155402155
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCCC1CCC(N(C)CC(C)C)CC1
InChIInChI=1S/C13H27N/c1-5-12-6-8-13(9-7-12)14(4)10-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyVCNBRASTWQDFOC-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine (CID 155402155) is 4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine is CCC1CCC(N(C)CC(C)C)CC1.
What is the InChIKey of 4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is VCNBRASTWQDFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-12-6-8-13(9-7-12)14(4)10-11(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine?
4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 155402155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).