(Z)-3-N-(methylideneamino)but-2-ene-2,3-diamine

C5H11N3 — CID 88986062

IUPAC(Z)-3-N-(methylideneamino)but-2-ene-2,3-diamine
SMILESC=NN/C(C)=C(/C)N
InChIInChI=1S/C5H11N3/c1-4(6)5(2)8-7-3/h8H,3,6H2,1-2H3/b5-4-
InChIKeyGXNVUXXDSURCCV-PLNGDYQASA-N
MW113.16 g/mol
LogP0.40
Rot. Bonds2

About (Z)-3-N-(methylideneamino)but-2-ene-2,3-diamine

(Z)-3-N-(methylideneamino)but-2-ene-2,3-diamine (PubChem CID 88986062) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is (Z)-3-N-(methylideneamino)but-2-ene-2,3-diamine.

Molecular Properties

Compound Name(Z)-3-N-(methylideneamino)but-2-ene-2,3-diamine
PubChem CID88986062
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name(Z)-3-N-(methylideneamino)but-2-ene-2,3-diamine
SMILESC=NN/C(C)=C(/C)N
InChIInChI=1S/C5H11N3/c1-4(6)5(2)8-7-3/h8H,3,6H2,1-2H3/b5-4-
InChIKeyGXNVUXXDSURCCV-PLNGDYQASA-N
XLogP0.40
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-N-(methylideneamino)but-2-ene-2,3-diamine?
The IUPAC name of (Z)-3-N-(methylideneamino)but-2-ene-2,3-diamine (CID 88986062) is (Z)-3-N-(methylideneamino)but-2-ene-2,3-diamine.
What is the SMILES notation for (Z)-3-N-(methylideneamino)but-2-ene-2,3-diamine?
The canonical SMILES for (Z)-3-N-(methylideneamino)but-2-ene-2,3-diamine is C=NN/C(C)=C(/C)N.
What is the InChIKey of (Z)-3-N-(methylideneamino)but-2-ene-2,3-diamine?
The InChIKey is GXNVUXXDSURCCV-PLNGDYQASA-N. The full InChI is InChI=1S/C5H11N3/c1-4(6)5(2)8-7-3/h8H,3,6H2,1-2H3/b5-4-.
What are the key properties of (Z)-3-N-(methylideneamino)but-2-ene-2,3-diamine?
(Z)-3-N-(methylideneamino)but-2-ene-2,3-diamine has a molecular weight of 113.16 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N-(methylideneamino)but-2-ene-2,3-diamine is sourced from PubChem (CID 88986062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).