(E)-2-methyl-N-propyloctadec-13-en-2-amine

C22H45N — CID 19893839

IUPAC(E)-2-methyl-N-propyloctadec-13-en-2-amine
SMILESCCCC/C=C/CCCCCCCCCCC(C)(C)NCCC
InChIInChI=1S/C22H45N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(3,4)23-21-6-2/h9-10,23H,5-8,11-21H2,1-4H3/b10-9+
InChIKeyFVIYPAVJNQVZTG-MDZDMXLPSA-N
MW323.61 g/mol
LogP7.41
Rot. Bonds17

About (E)-2-methyl-N-propyloctadec-13-en-2-amine

(E)-2-methyl-N-propyloctadec-13-en-2-amine (PubChem CID 19893839) has the molecular formula C22H45N and a molecular weight of 323.61 g/mol. Its IUPAC name is (E)-2-methyl-N-propyloctadec-13-en-2-amine.

Molecular Properties

Compound Name(E)-2-methyl-N-propyloctadec-13-en-2-amine
PubChem CID19893839
Molecular FormulaC22H45N
Molecular Weight323.61 g/mol
Exact Mass323.36
IUPAC Name(E)-2-methyl-N-propyloctadec-13-en-2-amine
SMILESCCCC/C=C/CCCCCCCCCCC(C)(C)NCCC
InChIInChI=1S/C22H45N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(3,4)23-21-6-2/h9-10,23H,5-8,11-21H2,1-4H3/b10-9+
InChIKeyFVIYPAVJNQVZTG-MDZDMXLPSA-N
XLogP7.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.61
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-2-methyl-N-propyloctadec-13-en-2-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 (E)-2-methyl-N-propyloctadec-13-en-2-amine?
The IUPAC name of (E)-2-methyl-N-propyloctadec-13-en-2-amine (CID 19893839) is (E)-2-methyl-N-propyloctadec-13-en-2-amine.
What is the SMILES notation for (E)-2-methyl-N-propyloctadec-13-en-2-amine?
The canonical SMILES for (E)-2-methyl-N-propyloctadec-13-en-2-amine is CCCC/C=C/CCCCCCCCCCC(C)(C)NCCC.
What is the InChIKey of (E)-2-methyl-N-propyloctadec-13-en-2-amine?
The InChIKey is FVIYPAVJNQVZTG-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H45N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(3,4)23-21-6-2/h9-10,23H,5-8,11-21H2,1-4H3/b10-9+.
What are the key properties of (E)-2-methyl-N-propyloctadec-13-en-2-amine?
(E)-2-methyl-N-propyloctadec-13-en-2-amine has a molecular weight of 323.61 g/mol, XLogP of 7.41, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-propyloctadec-13-en-2-amine is sourced from PubChem (CID 19893839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).