2-ethoxy-2,3-dimethylundecan-1-amine

C15H33NO — CID 150938785

IUPAC2-ethoxy-2,3-dimethylundecan-1-amine
SMILESCCCCCCCCC(C)C(C)(CN)OCC
InChIInChI=1S/C15H33NO/c1-5-7-8-9-10-11-12-14(3)15(4,13-16)17-6-2/h14H,5-13,16H2,1-4H3
InChIKeyLHPFMUUEAWCOCO-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.13
Rot. Bonds11

About 2-ethoxy-2,3-dimethylundecan-1-amine

2-ethoxy-2,3-dimethylundecan-1-amine (PubChem CID 150938785) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2-ethoxy-2,3-dimethylundecan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2,3-dimethylundecan-1-amine
PubChem CID150938785
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2-ethoxy-2,3-dimethylundecan-1-amine
SMILESCCCCCCCCC(C)C(C)(CN)OCC
InChIInChI=1S/C15H33NO/c1-5-7-8-9-10-11-12-14(3)15(4,13-16)17-6-2/h14H,5-13,16H2,1-4H3
InChIKeyLHPFMUUEAWCOCO-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethoxy-2,3-dimethylundecan-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-ethoxy-2,3-dimethylundecan-1-amine?
The IUPAC name of 2-ethoxy-2,3-dimethylundecan-1-amine (CID 150938785) is 2-ethoxy-2,3-dimethylundecan-1-amine.
What is the SMILES notation for 2-ethoxy-2,3-dimethylundecan-1-amine?
The canonical SMILES for 2-ethoxy-2,3-dimethylundecan-1-amine is CCCCCCCCC(C)C(C)(CN)OCC.
What is the InChIKey of 2-ethoxy-2,3-dimethylundecan-1-amine?
The InChIKey is LHPFMUUEAWCOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-5-7-8-9-10-11-12-14(3)15(4,13-16)17-6-2/h14H,5-13,16H2,1-4H3.
What are the key properties of 2-ethoxy-2,3-dimethylundecan-1-amine?
2-ethoxy-2,3-dimethylundecan-1-amine has a molecular weight of 243.43 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2,3-dimethylundecan-1-amine is sourced from PubChem (CID 150938785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).