4-ethyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine

C16H31N — CID 3971630

IUPAC4-ethyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine
SMILESCCC1CCC(NC2CCC(CC)CC2)CC1
InChIInChI=1S/C16H31N/c1-3-13-5-9-15(10-6-13)17-16-11-7-14(4-2)8-12-16/h13-17H,3-12H2,1-2H3
InChIKeyXFCFONLBAWHFIM-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.51
Rot. Bonds4

About 4-ethyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine

4-ethyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine (PubChem CID 3971630) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 4-ethyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine
PubChem CID3971630
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name4-ethyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine
SMILESCCC1CCC(NC2CCC(CC)CC2)CC1
InChIInChI=1S/C16H31N/c1-3-13-5-9-15(10-6-13)17-16-11-7-14(4-2)8-12-16/h13-17H,3-12H2,1-2H3
InChIKeyXFCFONLBAWHFIM-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine (CID 3971630) is 4-ethyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine is CCC1CCC(NC2CCC(CC)CC2)CC1.
What is the InChIKey of 4-ethyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine?
The InChIKey is XFCFONLBAWHFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-3-13-5-9-15(10-6-13)17-16-11-7-14(4-2)8-12-16/h13-17H,3-12H2,1-2H3.
What are the key properties of 4-ethyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine?
4-ethyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 3971630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).