(1E)-1-hydrazinyl-N-methyl-N-phosphanylbuta-1,3-dien-2-amine

C5H12N3P — CID 166928188

IUPAC(1E)-1-hydrazinyl-N-methyl-N-phosphanylbuta-1,3-dien-2-amine
SMILESC=C/C(=C\NN)N(C)P
InChIInChI=1S/C5H12N3P/c1-3-5(4-7-6)8(2)9/h3-4,7H,1,6,9H2,2H3/b5-4+
InChIKeyCOBRFDAFKLVLOQ-SNAWJCMRSA-N
MW145.15 g/mol
LogP0.20
Rot. Bonds3

About (1E)-1-hydrazinyl-N-methyl-N-phosphanylbuta-1,3-dien-2-amine

(1E)-1-hydrazinyl-N-methyl-N-phosphanylbuta-1,3-dien-2-amine (PubChem CID 166928188) has the molecular formula C5H12N3P and a molecular weight of 145.15 g/mol. Its IUPAC name is (1E)-1-hydrazinyl-N-methyl-N-phosphanylbuta-1,3-dien-2-amine.

Molecular Properties

Compound Name(1E)-1-hydrazinyl-N-methyl-N-phosphanylbuta-1,3-dien-2-amine
PubChem CID166928188
Molecular FormulaC5H12N3P
Molecular Weight145.15 g/mol
Exact Mass145.08
IUPAC Name(1E)-1-hydrazinyl-N-methyl-N-phosphanylbuta-1,3-dien-2-amine
SMILESC=C/C(=C\NN)N(C)P
InChIInChI=1S/C5H12N3P/c1-3-5(4-7-6)8(2)9/h3-4,7H,1,6,9H2,2H3/b5-4+
InChIKeyCOBRFDAFKLVLOQ-SNAWJCMRSA-N
XLogP0.20
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-hydrazinyl-N-methyl-N-phosphanylbuta-1,3-dien-2-amine?
The IUPAC name of (1E)-1-hydrazinyl-N-methyl-N-phosphanylbuta-1,3-dien-2-amine (CID 166928188) is (1E)-1-hydrazinyl-N-methyl-N-phosphanylbuta-1,3-dien-2-amine.
What is the SMILES notation for (1E)-1-hydrazinyl-N-methyl-N-phosphanylbuta-1,3-dien-2-amine?
The canonical SMILES for (1E)-1-hydrazinyl-N-methyl-N-phosphanylbuta-1,3-dien-2-amine is C=C/C(=C\NN)N(C)P.
What is the InChIKey of (1E)-1-hydrazinyl-N-methyl-N-phosphanylbuta-1,3-dien-2-amine?
The InChIKey is COBRFDAFKLVLOQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H12N3P/c1-3-5(4-7-6)8(2)9/h3-4,7H,1,6,9H2,2H3/b5-4+.
What are the key properties of (1E)-1-hydrazinyl-N-methyl-N-phosphanylbuta-1,3-dien-2-amine?
(1E)-1-hydrazinyl-N-methyl-N-phosphanylbuta-1,3-dien-2-amine has a molecular weight of 145.15 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-hydrazinyl-N-methyl-N-phosphanylbuta-1,3-dien-2-amine is sourced from PubChem (CID 166928188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).