2-ethenylimino-N-propan-2-ylbut-3-en-1-amine

C9H16N2 — CID 89129347

IUPAC2-ethenylimino-N-propan-2-ylbut-3-en-1-amine
SMILESC=C/N=C(\C=C)CNC(C)C
InChIInChI=1S/C9H16N2/c1-5-9(10-6-2)7-11-8(3)4/h5-6,8,11H,1-2,7H2,3-4H3/b10-9+
InChIKeyRNKXODJZTFHUMK-MDZDMXLPSA-N
MW152.24 g/mol
LogP1.75
Rot. Bonds5

About 2-ethenylimino-N-propan-2-ylbut-3-en-1-amine

2-ethenylimino-N-propan-2-ylbut-3-en-1-amine (PubChem CID 89129347) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-ethenylimino-N-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name2-ethenylimino-N-propan-2-ylbut-3-en-1-amine
PubChem CID89129347
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-ethenylimino-N-propan-2-ylbut-3-en-1-amine
SMILESC=C/N=C(\C=C)CNC(C)C
InChIInChI=1S/C9H16N2/c1-5-9(10-6-2)7-11-8(3)4/h5-6,8,11H,1-2,7H2,3-4H3/b10-9+
InChIKeyRNKXODJZTFHUMK-MDZDMXLPSA-N
XLogP1.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylimino-N-propan-2-ylbut-3-en-1-amine?
The IUPAC name of 2-ethenylimino-N-propan-2-ylbut-3-en-1-amine (CID 89129347) is 2-ethenylimino-N-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for 2-ethenylimino-N-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for 2-ethenylimino-N-propan-2-ylbut-3-en-1-amine is C=C/N=C(\C=C)CNC(C)C.
What is the InChIKey of 2-ethenylimino-N-propan-2-ylbut-3-en-1-amine?
The InChIKey is RNKXODJZTFHUMK-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-9(10-6-2)7-11-8(3)4/h5-6,8,11H,1-2,7H2,3-4H3/b10-9+.
What are the key properties of 2-ethenylimino-N-propan-2-ylbut-3-en-1-amine?
2-ethenylimino-N-propan-2-ylbut-3-en-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylimino-N-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 89129347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).