3-N-ethyl-5-methoxy-1-N-methylcyclohexane-1,3-diamine

C10H22N2O — CID 20705169

IUPAC3-N-ethyl-5-methoxy-1-N-methylcyclohexane-1,3-diamine
SMILESCCNC1CC(NC)CC(OC)C1
InChIInChI=1S/C10H22N2O/c1-4-12-9-5-8(11-2)6-10(7-9)13-3/h8-12H,4-7H2,1-3H3
InChIKeyADILTJATOYNZEW-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.75
Rot. Bonds4

About 3-N-ethyl-5-methoxy-1-N-methylcyclohexane-1,3-diamine

3-N-ethyl-5-methoxy-1-N-methylcyclohexane-1,3-diamine (PubChem CID 20705169) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-N-ethyl-5-methoxy-1-N-methylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-methoxy-1-N-methylcyclohexane-1,3-diamine
PubChem CID20705169
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-N-ethyl-5-methoxy-1-N-methylcyclohexane-1,3-diamine
SMILESCCNC1CC(NC)CC(OC)C1
InChIInChI=1S/C10H22N2O/c1-4-12-9-5-8(11-2)6-10(7-9)13-3/h8-12H,4-7H2,1-3H3
InChIKeyADILTJATOYNZEW-UHFFFAOYSA-N
XLogP0.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-ethyl-5-methoxy-1-N-methylcyclohexane-1,3-diamine 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 3-N-ethyl-5-methoxy-1-N-methylcyclohexane-1,3-diamine?
The IUPAC name of 3-N-ethyl-5-methoxy-1-N-methylcyclohexane-1,3-diamine (CID 20705169) is 3-N-ethyl-5-methoxy-1-N-methylcyclohexane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-5-methoxy-1-N-methylcyclohexane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-5-methoxy-1-N-methylcyclohexane-1,3-diamine is CCNC1CC(NC)CC(OC)C1.
What is the InChIKey of 3-N-ethyl-5-methoxy-1-N-methylcyclohexane-1,3-diamine?
The InChIKey is ADILTJATOYNZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-12-9-5-8(11-2)6-10(7-9)13-3/h8-12H,4-7H2,1-3H3.
What are the key properties of 3-N-ethyl-5-methoxy-1-N-methylcyclohexane-1,3-diamine?
3-N-ethyl-5-methoxy-1-N-methylcyclohexane-1,3-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-methoxy-1-N-methylcyclohexane-1,3-diamine is sourced from PubChem (CID 20705169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).