3-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine

C6H11N3 — CID 89054135

IUPAC3-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine
SMILESC=C(N)/C(C)=N/C=C\N
InChIInChI=1S/C6H11N3/c1-5(8)6(2)9-4-3-7/h3-4H,1,7-8H2,2H3/b4-3-,9-6+
InChIKeyBVKWRSBSLOKJEL-ZNUQQGBJSA-N
MW125.17 g/mol
LogP0.35
Rot. Bonds2

About 3-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine

3-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine (PubChem CID 89054135) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine.

Molecular Properties

Compound Name3-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine
PubChem CID89054135
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine
SMILESC=C(N)/C(C)=N/C=C\N
InChIInChI=1S/C6H11N3/c1-5(8)6(2)9-4-3-7/h3-4H,1,7-8H2,2H3/b4-3-,9-6+
InChIKeyBVKWRSBSLOKJEL-ZNUQQGBJSA-N
XLogP0.35
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine?
The IUPAC name of 3-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine (CID 89054135) is 3-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine.
What is the SMILES notation for 3-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine?
The canonical SMILES for 3-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine is C=C(N)/C(C)=N/C=C\N.
What is the InChIKey of 3-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine?
The InChIKey is BVKWRSBSLOKJEL-ZNUQQGBJSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(8)6(2)9-4-3-7/h3-4H,1,7-8H2,2H3/b4-3-,9-6+.
What are the key properties of 3-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine?
3-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine has a molecular weight of 125.17 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-aminoethenyl]iminobut-1-en-2-amine is sourced from PubChem (CID 89054135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).