2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine

C16H31N — CID 81014095

IUPAC2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine
SMILESCCC1CCCCC1C1CC(C)(C)CCC1N
InChIInChI=1S/C16H31N/c1-4-12-7-5-6-8-13(12)14-11-16(2,3)10-9-15(14)17/h12-15H,4-11,17H2,1-3H3
InChIKeyLYDGUYMGIZYCAS-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.36
Rot. Bonds2

About 2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine

2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine (PubChem CID 81014095) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine
PubChem CID81014095
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine
SMILESCCC1CCCCC1C1CC(C)(C)CCC1N
InChIInChI=1S/C16H31N/c1-4-12-7-5-6-8-13(12)14-11-16(2,3)10-9-15(14)17/h12-15H,4-11,17H2,1-3H3
InChIKeyLYDGUYMGIZYCAS-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine (CID 81014095) is 2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine is CCC1CCCCC1C1CC(C)(C)CCC1N.
What is the InChIKey of 2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine?
The InChIKey is LYDGUYMGIZYCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-4-12-7-5-6-8-13(12)14-11-16(2,3)10-9-15(14)17/h12-15H,4-11,17H2,1-3H3.
What are the key properties of 2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine?
2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81014095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).