2-butyl-N,4-diethylcyclohexan-1-amine

C14H29N — CID 63403670

IUPAC2-butyl-N,4-diethylcyclohexan-1-amine
SMILESCCCCC1CC(CC)CCC1NCC
InChIInChI=1S/C14H29N/c1-4-7-8-13-11-12(5-2)9-10-14(13)15-6-3/h12-15H,4-11H2,1-3H3
InChIKeyZMPZJGYCYOROFV-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds6

About 2-butyl-N,4-diethylcyclohexan-1-amine

2-butyl-N,4-diethylcyclohexan-1-amine (PubChem CID 63403670) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2-butyl-N,4-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-butyl-N,4-diethylcyclohexan-1-amine
PubChem CID63403670
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2-butyl-N,4-diethylcyclohexan-1-amine
SMILESCCCCC1CC(CC)CCC1NCC
InChIInChI=1S/C14H29N/c1-4-7-8-13-11-12(5-2)9-10-14(13)15-6-3/h12-15H,4-11H2,1-3H3
InChIKeyZMPZJGYCYOROFV-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N,4-diethylcyclohexan-1-amine?
The IUPAC name of 2-butyl-N,4-diethylcyclohexan-1-amine (CID 63403670) is 2-butyl-N,4-diethylcyclohexan-1-amine.
What is the SMILES notation for 2-butyl-N,4-diethylcyclohexan-1-amine?
The canonical SMILES for 2-butyl-N,4-diethylcyclohexan-1-amine is CCCCC1CC(CC)CCC1NCC.
What is the InChIKey of 2-butyl-N,4-diethylcyclohexan-1-amine?
The InChIKey is ZMPZJGYCYOROFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-7-8-13-11-12(5-2)9-10-14(13)15-6-3/h12-15H,4-11H2,1-3H3.
What are the key properties of 2-butyl-N,4-diethylcyclohexan-1-amine?
2-butyl-N,4-diethylcyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N,4-diethylcyclohexan-1-amine is sourced from PubChem (CID 63403670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).