2-iminobut-3-en-1-amine

C4H8N2 — CID 174589213

IUPAC2-iminobut-3-en-1-amine
SMILES[H]/N=C(\C=C)CN
InChIInChI=1S/C4H8N2/c1-2-4(6)3-5/h2,6H,1,3,5H2/b6-4+
InChIKeyUABFWRCEKRYXGO-GQCTYLIASA-N
MW84.12 g/mol
LogP0.15
Rot. Bonds2

About 2-iminobut-3-en-1-amine

2-iminobut-3-en-1-amine (PubChem CID 174589213) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is 2-iminobut-3-en-1-amine.

Molecular Properties

Compound Name2-iminobut-3-en-1-amine
PubChem CID174589213
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name2-iminobut-3-en-1-amine
SMILES[H]/N=C(\C=C)CN
InChIInChI=1S/C4H8N2/c1-2-4(6)3-5/h2,6H,1,3,5H2/b6-4+
InChIKeyUABFWRCEKRYXGO-GQCTYLIASA-N
XLogP0.15
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.15
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 2-iminobut-3-en-1-amine?
The IUPAC name of 2-iminobut-3-en-1-amine (CID 174589213) is 2-iminobut-3-en-1-amine.
What is the SMILES notation for 2-iminobut-3-en-1-amine?
The canonical SMILES for 2-iminobut-3-en-1-amine is [H]/N=C(\C=C)CN.
What is the InChIKey of 2-iminobut-3-en-1-amine?
The InChIKey is UABFWRCEKRYXGO-GQCTYLIASA-N. The full InChI is InChI=1S/C4H8N2/c1-2-4(6)3-5/h2,6H,1,3,5H2/b6-4+.
What are the key properties of 2-iminobut-3-en-1-amine?
2-iminobut-3-en-1-amine has a molecular weight of 84.12 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminobut-3-en-1-amine is sourced from PubChem (CID 174589213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).