3-ethenylimino-N-ethyl-2-methylpropan-1-amine

C8H16N2 — CID 118973312

IUPAC3-ethenylimino-N-ethyl-2-methylpropan-1-amine
SMILESC=C/N=C/C(C)CNCC
InChIInChI=1S/C8H16N2/c1-4-9-6-8(3)7-10-5-2/h4,6,8,10H,1,5,7H2,2-3H3/b9-6+
InChIKeyBCVUYHSZXPVSLM-RMKNXTFCSA-N
MW140.23 g/mol
LogP1.45
Rot. Bonds5

About 3-ethenylimino-N-ethyl-2-methylpropan-1-amine

3-ethenylimino-N-ethyl-2-methylpropan-1-amine (PubChem CID 118973312) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-ethenylimino-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-ethenylimino-N-ethyl-2-methylpropan-1-amine
PubChem CID118973312
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-ethenylimino-N-ethyl-2-methylpropan-1-amine
SMILESC=C/N=C/C(C)CNCC
InChIInChI=1S/C8H16N2/c1-4-9-6-8(3)7-10-5-2/h4,6,8,10H,1,5,7H2,2-3H3/b9-6+
InChIKeyBCVUYHSZXPVSLM-RMKNXTFCSA-N
XLogP1.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethenylimino-N-ethyl-2-methylpropan-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 3-ethenylimino-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 3-ethenylimino-N-ethyl-2-methylpropan-1-amine (CID 118973312) is 3-ethenylimino-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-ethenylimino-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 3-ethenylimino-N-ethyl-2-methylpropan-1-amine is C=C/N=C/C(C)CNCC.
What is the InChIKey of 3-ethenylimino-N-ethyl-2-methylpropan-1-amine?
The InChIKey is BCVUYHSZXPVSLM-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-9-6-8(3)7-10-5-2/h4,6,8,10H,1,5,7H2,2-3H3/b9-6+.
What are the key properties of 3-ethenylimino-N-ethyl-2-methylpropan-1-amine?
3-ethenylimino-N-ethyl-2-methylpropan-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylimino-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 118973312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).