4-(1,4-dimethylcyclohexyl)-N-ethylcyclohexan-1-amine

C16H31N — CID 167233317

IUPAC4-(1,4-dimethylcyclohexyl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCC(C2(C)CCC(C)CC2)CC1
InChIInChI=1S/C16H31N/c1-4-17-15-7-5-14(6-8-15)16(3)11-9-13(2)10-12-16/h13-15,17H,4-12H2,1-3H3
InChIKeyCAXPIALWPNVKNV-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds3

About 4-(1,4-dimethylcyclohexyl)-N-ethylcyclohexan-1-amine

4-(1,4-dimethylcyclohexyl)-N-ethylcyclohexan-1-amine (PubChem CID 167233317) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 4-(1,4-dimethylcyclohexyl)-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(1,4-dimethylcyclohexyl)-N-ethylcyclohexan-1-amine
PubChem CID167233317
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name4-(1,4-dimethylcyclohexyl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCC(C2(C)CCC(C)CC2)CC1
InChIInChI=1S/C16H31N/c1-4-17-15-7-5-14(6-8-15)16(3)11-9-13(2)10-12-16/h13-15,17H,4-12H2,1-3H3
InChIKeyCAXPIALWPNVKNV-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethylcyclohexyl)-N-ethylcyclohexan-1-amine?
The IUPAC name of 4-(1,4-dimethylcyclohexyl)-N-ethylcyclohexan-1-amine (CID 167233317) is 4-(1,4-dimethylcyclohexyl)-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 4-(1,4-dimethylcyclohexyl)-N-ethylcyclohexan-1-amine?
The canonical SMILES for 4-(1,4-dimethylcyclohexyl)-N-ethylcyclohexan-1-amine is CCNC1CCC(C2(C)CCC(C)CC2)CC1.
What is the InChIKey of 4-(1,4-dimethylcyclohexyl)-N-ethylcyclohexan-1-amine?
The InChIKey is CAXPIALWPNVKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-4-17-15-7-5-14(6-8-15)16(3)11-9-13(2)10-12-16/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 4-(1,4-dimethylcyclohexyl)-N-ethylcyclohexan-1-amine?
4-(1,4-dimethylcyclohexyl)-N-ethylcyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dimethylcyclohexyl)-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 167233317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).