2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine

C15H32N2O2 — CID 82965659

IUPAC2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine
SMILESCCOCCN(CCOCC)C1CCCCC1CN
InChIInChI=1S/C15H32N2O2/c1-3-18-11-9-17(10-12-19-4-2)15-8-6-5-7-14(15)13-16/h14-15H,3-13,16H2,1-2H3
InChIKeyLLJLQGGMECZVOD-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.88
Rot. Bonds10

About 2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine

2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine (PubChem CID 82965659) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine
PubChem CID82965659
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine
SMILESCCOCCN(CCOCC)C1CCCCC1CN
InChIInChI=1S/C15H32N2O2/c1-3-18-11-9-17(10-12-19-4-2)15-8-6-5-7-14(15)13-16/h14-15H,3-13,16H2,1-2H3
InChIKeyLLJLQGGMECZVOD-UHFFFAOYSA-N
XLogP1.88
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine (CID 82965659) is 2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine is CCOCCN(CCOCC)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine?
The InChIKey is LLJLQGGMECZVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-3-18-11-9-17(10-12-19-4-2)15-8-6-5-7-14(15)13-16/h14-15H,3-13,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine?
2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine has a molecular weight of 272.43 g/mol, XLogP of 1.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 82965659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).