(E)-4-hydrazinyl-N-methylbut-2-en-1-amine

C5H13N3 — CID 20685262

IUPAC(E)-4-hydrazinyl-N-methylbut-2-en-1-amine
SMILESCNC/C=C/CNN
InChIInChI=1S/C5H13N3/c1-7-4-2-3-5-8-6/h2-3,7-8H,4-6H2,1H3/b3-2+
InChIKeyOXXWPWOBBDUMBE-NSCUHMNNSA-N
MW115.18 g/mol
LogP-0.77
Rot. Bonds4

About (E)-4-hydrazinyl-N-methylbut-2-en-1-amine

(E)-4-hydrazinyl-N-methylbut-2-en-1-amine (PubChem CID 20685262) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is (E)-4-hydrazinyl-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-hydrazinyl-N-methylbut-2-en-1-amine
PubChem CID20685262
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name(E)-4-hydrazinyl-N-methylbut-2-en-1-amine
SMILESCNC/C=C/CNN
InChIInChI=1S/C5H13N3/c1-7-4-2-3-5-8-6/h2-3,7-8H,4-6H2,1H3/b3-2+
InChIKeyOXXWPWOBBDUMBE-NSCUHMNNSA-N
XLogP-0.77
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (E)-4-hydrazinyl-N-methylbut-2-en-1-amine?
The IUPAC name of (E)-4-hydrazinyl-N-methylbut-2-en-1-amine (CID 20685262) is (E)-4-hydrazinyl-N-methylbut-2-en-1-amine.
What is the SMILES notation for (E)-4-hydrazinyl-N-methylbut-2-en-1-amine?
The canonical SMILES for (E)-4-hydrazinyl-N-methylbut-2-en-1-amine is CNC/C=C/CNN.
What is the InChIKey of (E)-4-hydrazinyl-N-methylbut-2-en-1-amine?
The InChIKey is OXXWPWOBBDUMBE-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H13N3/c1-7-4-2-3-5-8-6/h2-3,7-8H,4-6H2,1H3/b3-2+.
What are the key properties of (E)-4-hydrazinyl-N-methylbut-2-en-1-amine?
(E)-4-hydrazinyl-N-methylbut-2-en-1-amine has a molecular weight of 115.18 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-hydrazinyl-N-methylbut-2-en-1-amine is sourced from PubChem (CID 20685262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).