N-ethenyl-N-methyl-2-propyliminoethanamine

C8H16N2 — CID 123304907

IUPACN-ethenyl-N-methyl-2-propyliminoethanamine
SMILESC=CN(C)C/C=N/CCC
InChIInChI=1S/C8H16N2/c1-4-6-9-7-8-10(3)5-2/h5,7H,2,4,6,8H2,1,3H3/b9-7+
InChIKeyPLAJSXKPGPCJIK-VQHVLOKHSA-N
MW140.23 g/mol
LogP1.54
Rot. Bonds5

About N-ethenyl-N-methyl-2-propyliminoethanamine

N-ethenyl-N-methyl-2-propyliminoethanamine (PubChem CID 123304907) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-ethenyl-N-methyl-2-propyliminoethanamine.

Molecular Properties

Compound NameN-ethenyl-N-methyl-2-propyliminoethanamine
PubChem CID123304907
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-ethenyl-N-methyl-2-propyliminoethanamine
SMILESC=CN(C)C/C=N/CCC
InChIInChI=1S/C8H16N2/c1-4-6-9-7-8-10(3)5-2/h5,7H,2,4,6,8H2,1,3H3/b9-7+
InChIKeyPLAJSXKPGPCJIK-VQHVLOKHSA-N
XLogP1.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-ethenyl-N-methyl-2-propyliminoethanamine 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 N-ethenyl-N-methyl-2-propyliminoethanamine?
The IUPAC name of N-ethenyl-N-methyl-2-propyliminoethanamine (CID 123304907) is N-ethenyl-N-methyl-2-propyliminoethanamine.
What is the SMILES notation for N-ethenyl-N-methyl-2-propyliminoethanamine?
The canonical SMILES for N-ethenyl-N-methyl-2-propyliminoethanamine is C=CN(C)C/C=N/CCC.
What is the InChIKey of N-ethenyl-N-methyl-2-propyliminoethanamine?
The InChIKey is PLAJSXKPGPCJIK-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-6-9-7-8-10(3)5-2/h5,7H,2,4,6,8H2,1,3H3/b9-7+.
What are the key properties of N-ethenyl-N-methyl-2-propyliminoethanamine?
N-ethenyl-N-methyl-2-propyliminoethanamine has a molecular weight of 140.23 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-methyl-2-propyliminoethanamine is sourced from PubChem (CID 123304907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).