(Z)-4-iminobut-2-en-2-amine

C4H8N2 — CID 59932311

IUPAC(Z)-4-iminobut-2-en-2-amine
SMILES[H]/N=C/C=C(/C)N
InChIInChI=1S/C4H8N2/c1-4(6)2-3-5/h2-3,5H,6H2,1H3/b4-2-,5-3+
InChIKeyDAJNVLLZSYCFBM-VOERYJCWSA-N
MW84.12 g/mol
LogP0.50
Rot. Bonds1

About (Z)-4-iminobut-2-en-2-amine

(Z)-4-iminobut-2-en-2-amine (PubChem CID 59932311) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is (Z)-4-iminobut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-iminobut-2-en-2-amine
PubChem CID59932311
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name(Z)-4-iminobut-2-en-2-amine
SMILES[H]/N=C/C=C(/C)N
InChIInChI=1S/C4H8N2/c1-4(6)2-3-5/h2-3,5H,6H2,1H3/b4-2-,5-3+
InChIKeyDAJNVLLZSYCFBM-VOERYJCWSA-N
XLogP0.50
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine
CID 143245790
1,1-Difluoro-4-methyliminobut-2-en-2-amine
CID 146689609
4-(2,2,2-Trifluoroethylimino)but-2-en-2-amine
CID 149412864
4-(2-Fluoroethylimino)but-2-en-2-amine
CID 153649956
4-(Difluoromethylimino)but-2-en-2-amine
CID 154561749
(E)-N-fluoro-4-methyliminobut-2-en-2-amine
CID 169683504
1-Fluoro-4-methyliminobut-2-en-2-amine
CID 173530051
4-(2,2-Difluoroethylimino)but-2-en-2-amine
CID 173719883
N-fluoro-4-(fluoromethylimino)but-2-en-2-amine
CID 173811500
(2E,4E)-5-fluoro-6-iminohexa-2,4-dien-2-amine
CID 174339856
(Z)-4-(2,2-difluoroethylimino)but-2-en-2-amine
CID 132040234
(Z,4E)-4-(difluoromethylimino)but-2-en-2-amine
CID 170353384

Frequently Asked Questions

What is the IUPAC name of (Z)-4-iminobut-2-en-2-amine?
The IUPAC name of (Z)-4-iminobut-2-en-2-amine (CID 59932311) is (Z)-4-iminobut-2-en-2-amine.
What is the SMILES notation for (Z)-4-iminobut-2-en-2-amine?
The canonical SMILES for (Z)-4-iminobut-2-en-2-amine is [H]/N=C/C=C(/C)N.
What is the InChIKey of (Z)-4-iminobut-2-en-2-amine?
The InChIKey is DAJNVLLZSYCFBM-VOERYJCWSA-N. The full InChI is InChI=1S/C4H8N2/c1-4(6)2-3-5/h2-3,5H,6H2,1H3/b4-2-,5-3+.
What are the key properties of (Z)-4-iminobut-2-en-2-amine?
(Z)-4-iminobut-2-en-2-amine has a molecular weight of 84.12 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-iminobut-2-en-2-amine is sourced from PubChem (CID 59932311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).