2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine

C15H32N2O2 — CID 54985664

IUPAC2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine
SMILESCOCCCN(CCOC)C1CC(C)CCC1CN
InChIInChI=1S/C15H32N2O2/c1-13-5-6-14(12-16)15(11-13)17(8-10-19-3)7-4-9-18-2/h13-15H,4-12,16H2,1-3H3
InChIKeyDONYOQBHAKEAMO-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.73
Rot. Bonds9

About 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine

2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine (PubChem CID 54985664) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine
PubChem CID54985664
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine
SMILESCOCCCN(CCOC)C1CC(C)CCC1CN
InChIInChI=1S/C15H32N2O2/c1-13-5-6-14(12-16)15(11-13)17(8-10-19-3)7-4-9-18-2/h13-15H,4-12,16H2,1-3H3
InChIKeyDONYOQBHAKEAMO-UHFFFAOYSA-N
XLogP1.73
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-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 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine (CID 54985664) is 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine is COCCCN(CCOC)C1CC(C)CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine?
The InChIKey is DONYOQBHAKEAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-13-5-6-14(12-16)15(11-13)17(8-10-19-3)7-4-9-18-2/h13-15H,4-12,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine?
2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine has a molecular weight of 272.43 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine is sourced from PubChem (CID 54985664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).