3-imino-N-methylbut-1-en-2-amine

C5H10N2 — CID 143837548

IUPAC3-imino-N-methylbut-1-en-2-amine
SMILES[H]/N=C(\C)C(=C)NC
InChIInChI=1S/C5H10N2/c1-4(6)5(2)7-3/h6-7H,2H2,1,3H3/b6-4+
InChIKeyMTMXDZCZFZYPHL-GQCTYLIASA-N
MW98.15 g/mol
LogP0.76
Rot. Bonds2

About 3-imino-N-methylbut-1-en-2-amine

3-imino-N-methylbut-1-en-2-amine (PubChem CID 143837548) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 3-imino-N-methylbut-1-en-2-amine.

Molecular Properties

Compound Name3-imino-N-methylbut-1-en-2-amine
PubChem CID143837548
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name3-imino-N-methylbut-1-en-2-amine
SMILES[H]/N=C(\C)C(=C)NC
InChIInChI=1S/C5H10N2/c1-4(6)5(2)7-3/h6-7H,2H2,1,3H3/b6-4+
InChIKeyMTMXDZCZFZYPHL-GQCTYLIASA-N
XLogP0.76
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.76
H-Bond Donors ≤ 52
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 3-imino-N-methylbut-1-en-2-amine?
The IUPAC name of 3-imino-N-methylbut-1-en-2-amine (CID 143837548) is 3-imino-N-methylbut-1-en-2-amine.
What is the SMILES notation for 3-imino-N-methylbut-1-en-2-amine?
The canonical SMILES for 3-imino-N-methylbut-1-en-2-amine is [H]/N=C(\C)C(=C)NC.
What is the InChIKey of 3-imino-N-methylbut-1-en-2-amine?
The InChIKey is MTMXDZCZFZYPHL-GQCTYLIASA-N. The full InChI is InChI=1S/C5H10N2/c1-4(6)5(2)7-3/h6-7H,2H2,1,3H3/b6-4+.
What are the key properties of 3-imino-N-methylbut-1-en-2-amine?
3-imino-N-methylbut-1-en-2-amine has a molecular weight of 98.15 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N-methylbut-1-en-2-amine is sourced from PubChem (CID 143837548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).