4-ethoxy-N-methyl-N-propylcyclohexan-1-amine

C12H25NO — CID 166800579

IUPAC4-ethoxy-N-methyl-N-propylcyclohexan-1-amine
SMILESCCCN(C)C1CCC(OCC)CC1
InChIInChI=1S/C12H25NO/c1-4-10-13(3)11-6-8-12(9-7-11)14-5-2/h11-12H,4-10H2,1-3H3
InChIKeyGNYYSPAGEBRQBS-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.68
Rot. Bonds5

About 4-ethoxy-N-methyl-N-propylcyclohexan-1-amine

4-ethoxy-N-methyl-N-propylcyclohexan-1-amine (PubChem CID 166800579) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-propylcyclohexan-1-amine
PubChem CID166800579
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-ethoxy-N-methyl-N-propylcyclohexan-1-amine
SMILESCCCN(C)C1CCC(OCC)CC1
InChIInChI=1S/C12H25NO/c1-4-10-13(3)11-6-8-12(9-7-11)14-5-2/h11-12H,4-10H2,1-3H3
InChIKeyGNYYSPAGEBRQBS-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethoxy-N-methyl-N-propylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 4-ethoxy-N-methyl-N-propylcyclohexan-1-amine (CID 166800579) is 4-ethoxy-N-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-ethoxy-N-methyl-N-propylcyclohexan-1-amine is CCCN(C)C1CCC(OCC)CC1.
What is the InChIKey of 4-ethoxy-N-methyl-N-propylcyclohexan-1-amine?
The InChIKey is GNYYSPAGEBRQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-10-13(3)11-6-8-12(9-7-11)14-5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-ethoxy-N-methyl-N-propylcyclohexan-1-amine?
4-ethoxy-N-methyl-N-propylcyclohexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 166800579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).