2-(but-3-en-2-ylideneamino)ethene-1,1-diamine

C6H11N3 — CID 126596280

IUPAC2-(but-3-en-2-ylideneamino)ethene-1,1-diamine
SMILESC=C/C(C)=N/C=C(N)N
InChIInChI=1S/C6H11N3/c1-3-5(2)9-4-6(7)8/h3-4H,1,7-8H2,2H3/b9-5+
InChIKeyORQPKWBMTKESRR-WEVVVXLNSA-N
MW125.17 g/mol
LogP0.35
Rot. Bonds2

About 2-(but-3-en-2-ylideneamino)ethene-1,1-diamine

2-(but-3-en-2-ylideneamino)ethene-1,1-diamine (PubChem CID 126596280) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(but-3-en-2-ylideneamino)ethene-1,1-diamine.

Molecular Properties

Compound Name2-(but-3-en-2-ylideneamino)ethene-1,1-diamine
PubChem CID126596280
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-(but-3-en-2-ylideneamino)ethene-1,1-diamine
SMILESC=C/C(C)=N/C=C(N)N
InChIInChI=1S/C6H11N3/c1-3-5(2)9-4-6(7)8/h3-4H,1,7-8H2,2H3/b9-5+
InChIKeyORQPKWBMTKESRR-WEVVVXLNSA-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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Related Compounds

N-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine
CID 134253328
2-(but-3-en-2-ylideneamino)ethenamine
CID 146739321
butane;ethane;N-ethenylbut-3-en-2-imine
CID 145149803
N-[(E)-2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]prop-1-enyl]but-3-en-2-imine
CID 88944973
4-ethenyliminopent-2-ene-2,3-diamine
CID 152822158
(E)-N-methoxybut-3-en-2-imine
CID 142905738
(2E)-2-[(1-aminoethylideneamino)methylidene]but-3-enoic acid
CID 123481340
N'-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ynimidamide
CID 88901115
N-(but-3-en-2-ylideneamino)-N-methylmethanamine
CID 535821
ethane;(Z)-N-(methylideneamino)but-3-en-2-imine
CID 143330418
3-methylpenta-2,4-dien-2-amine
CID 141358440
acetamide;prop-2-enamide
CID 158566181

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-en-2-ylideneamino)ethene-1,1-diamine?
The IUPAC name of 2-(but-3-en-2-ylideneamino)ethene-1,1-diamine (CID 126596280) is 2-(but-3-en-2-ylideneamino)ethene-1,1-diamine.
What is the SMILES notation for 2-(but-3-en-2-ylideneamino)ethene-1,1-diamine?
The canonical SMILES for 2-(but-3-en-2-ylideneamino)ethene-1,1-diamine is C=C/C(C)=N/C=C(N)N.
What is the InChIKey of 2-(but-3-en-2-ylideneamino)ethene-1,1-diamine?
The InChIKey is ORQPKWBMTKESRR-WEVVVXLNSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-5(2)9-4-6(7)8/h3-4H,1,7-8H2,2H3/b9-5+.
What are the key properties of 2-(but-3-en-2-ylideneamino)ethene-1,1-diamine?
2-(but-3-en-2-ylideneamino)ethene-1,1-diamine 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 2-(but-3-en-2-ylideneamino)ethene-1,1-diamine is sourced from PubChem (CID 126596280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).