6-methyl-N-(2-morpholin-4-ylethyl)undecan-6-amine

C18H38N2O — CID 130471504

IUPAC6-methyl-N-(2-morpholin-4-ylethyl)undecan-6-amine
SMILESCCCCCC(C)(CCCCC)NCCN1CCOCC1
InChIInChI=1S/C18H38N2O/c1-4-6-8-10-18(3,11-9-7-5-2)19-12-13-20-14-16-21-17-15-20/h19H,4-17H2,1-3H3
InChIKeyDVQLHJYUFASLOK-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.83
Rot. Bonds12

About 6-methyl-N-(2-morpholin-4-ylethyl)undecan-6-amine

6-methyl-N-(2-morpholin-4-ylethyl)undecan-6-amine (PubChem CID 130471504) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 6-methyl-N-(2-morpholin-4-ylethyl)undecan-6-amine.

Molecular Properties

Compound Name6-methyl-N-(2-morpholin-4-ylethyl)undecan-6-amine
PubChem CID130471504
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name6-methyl-N-(2-morpholin-4-ylethyl)undecan-6-amine
SMILESCCCCCC(C)(CCCCC)NCCN1CCOCC1
InChIInChI=1S/C18H38N2O/c1-4-6-8-10-18(3,11-9-7-5-2)19-12-13-20-14-16-21-17-15-20/h19H,4-17H2,1-3H3
InChIKeyDVQLHJYUFASLOK-UHFFFAOYSA-N
XLogP3.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methyl-N-(2-morpholin-4-ylethyl)undecan-6-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 6-methyl-N-(2-morpholin-4-ylethyl)undecan-6-amine?
The IUPAC name of 6-methyl-N-(2-morpholin-4-ylethyl)undecan-6-amine (CID 130471504) is 6-methyl-N-(2-morpholin-4-ylethyl)undecan-6-amine.
What is the SMILES notation for 6-methyl-N-(2-morpholin-4-ylethyl)undecan-6-amine?
The canonical SMILES for 6-methyl-N-(2-morpholin-4-ylethyl)undecan-6-amine is CCCCCC(C)(CCCCC)NCCN1CCOCC1.
What is the InChIKey of 6-methyl-N-(2-morpholin-4-ylethyl)undecan-6-amine?
The InChIKey is DVQLHJYUFASLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-4-6-8-10-18(3,11-9-7-5-2)19-12-13-20-14-16-21-17-15-20/h19H,4-17H2,1-3H3.
What are the key properties of 6-methyl-N-(2-morpholin-4-ylethyl)undecan-6-amine?
6-methyl-N-(2-morpholin-4-ylethyl)undecan-6-amine has a molecular weight of 298.51 g/mol, XLogP of 3.83, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-morpholin-4-ylethyl)undecan-6-amine is sourced from PubChem (CID 130471504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).