4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine

C16H31N — CID 81014827

IUPAC4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine
SMILESCCC1CCCC(C2CC(CC)CCC2N)C1
InChIInChI=1S/C16H31N/c1-3-12-6-5-7-14(10-12)15-11-13(4-2)8-9-16(15)17/h12-16H,3-11,17H2,1-2H3
InChIKeyKYSVEMVRWJOKBU-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.36
Rot. Bonds3

About 4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine

4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine (PubChem CID 81014827) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine
PubChem CID81014827
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine
SMILESCCC1CCCC(C2CC(CC)CCC2N)C1
InChIInChI=1S/C16H31N/c1-3-12-6-5-7-14(10-12)15-11-13(4-2)8-9-16(15)17/h12-16H,3-11,17H2,1-2H3
InChIKeyKYSVEMVRWJOKBU-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine (CID 81014827) is 4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine is CCC1CCCC(C2CC(CC)CCC2N)C1.
What is the InChIKey of 4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine?
The InChIKey is KYSVEMVRWJOKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-3-12-6-5-7-14(10-12)15-11-13(4-2)8-9-16(15)17/h12-16H,3-11,17H2,1-2H3.
What are the key properties of 4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine?
4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 81014827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).