2-(prop-2-enylideneamino)ethene-1,1-diamine

C5H9N3 — CID 89293829

IUPAC2-(prop-2-enylideneamino)ethene-1,1-diamine
SMILESC=C/C=N/C=C(N)N
InChIInChI=1S/C5H9N3/c1-2-3-8-4-5(6)7/h2-4H,1,6-7H2/b8-3+
InChIKeyHBZHHUOZRDIJQO-FPYGCLRLSA-N
MW111.15 g/mol
LogP-0.04
Rot. Bonds2

About 2-(prop-2-enylideneamino)ethene-1,1-diamine

2-(prop-2-enylideneamino)ethene-1,1-diamine (PubChem CID 89293829) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 2-(prop-2-enylideneamino)ethene-1,1-diamine.

Molecular Properties

Compound Name2-(prop-2-enylideneamino)ethene-1,1-diamine
PubChem CID89293829
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name2-(prop-2-enylideneamino)ethene-1,1-diamine
SMILESC=C/C=N/C=C(N)N
InChIInChI=1S/C5H9N3/c1-2-3-8-4-5(6)7/h2-4H,1,6-7H2/b8-3+
InChIKeyHBZHHUOZRDIJQO-FPYGCLRLSA-N
XLogP-0.04
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.04
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

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[1,5,9,13]Tetraazacyclohexadecine
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N-(aminomethyl)pyrimidine
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(Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine
CID 163663920
N-[(Z)-3-iminoprop-1-enyl]methanimidoyl fluoride
CID 169963153
3-(4-Fluorobutylimino)prop-1-en-1-amine
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(Z)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 10606703
N-(3-methylamino-2-propenylidene)methylamine
CID 85203886

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylideneamino)ethene-1,1-diamine?
The IUPAC name of 2-(prop-2-enylideneamino)ethene-1,1-diamine (CID 89293829) is 2-(prop-2-enylideneamino)ethene-1,1-diamine.
What is the SMILES notation for 2-(prop-2-enylideneamino)ethene-1,1-diamine?
The canonical SMILES for 2-(prop-2-enylideneamino)ethene-1,1-diamine is C=C/C=N/C=C(N)N.
What is the InChIKey of 2-(prop-2-enylideneamino)ethene-1,1-diamine?
The InChIKey is HBZHHUOZRDIJQO-FPYGCLRLSA-N. The full InChI is InChI=1S/C5H9N3/c1-2-3-8-4-5(6)7/h2-4H,1,6-7H2/b8-3+.
What are the key properties of 2-(prop-2-enylideneamino)ethene-1,1-diamine?
2-(prop-2-enylideneamino)ethene-1,1-diamine has a molecular weight of 111.15 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylideneamino)ethene-1,1-diamine is sourced from PubChem (CID 89293829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).