(3E)-3-(dimethylhydrazinylidene)-N-ethyl-N-methylbut-1-en-2-amine

C9H19N3 — CID 58765056

IUPAC(3E)-3-(dimethylhydrazinylidene)-N-ethyl-N-methylbut-1-en-2-amine
SMILESC=C(/C(C)=N/N(C)C)N(C)CC
InChIInChI=1S/C9H19N3/c1-7-12(6)9(3)8(2)10-11(4)5/h3,7H2,1-2,4-6H3/b10-8+
InChIKeyPZSMCLFAANOFFX-CSKARUKUSA-N
MW169.27 g/mol
LogP1.39
Rot. Bonds4

About (3E)-3-(dimethylhydrazinylidene)-N-ethyl-N-methylbut-1-en-2-amine

(3E)-3-(dimethylhydrazinylidene)-N-ethyl-N-methylbut-1-en-2-amine (PubChem CID 58765056) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (3E)-3-(dimethylhydrazinylidene)-N-ethyl-N-methylbut-1-en-2-amine.

Molecular Properties

Compound Name(3E)-3-(dimethylhydrazinylidene)-N-ethyl-N-methylbut-1-en-2-amine
PubChem CID58765056
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(3E)-3-(dimethylhydrazinylidene)-N-ethyl-N-methylbut-1-en-2-amine
SMILESC=C(/C(C)=N/N(C)C)N(C)CC
InChIInChI=1S/C9H19N3/c1-7-12(6)9(3)8(2)10-11(4)5/h3,7H2,1-2,4-6H3/b10-8+
InChIKeyPZSMCLFAANOFFX-CSKARUKUSA-N
XLogP1.39
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
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 (3E)-3-(dimethylhydrazinylidene)-N-ethyl-N-methylbut-1-en-2-amine?
The IUPAC name of (3E)-3-(dimethylhydrazinylidene)-N-ethyl-N-methylbut-1-en-2-amine (CID 58765056) is (3E)-3-(dimethylhydrazinylidene)-N-ethyl-N-methylbut-1-en-2-amine.
What is the SMILES notation for (3E)-3-(dimethylhydrazinylidene)-N-ethyl-N-methylbut-1-en-2-amine?
The canonical SMILES for (3E)-3-(dimethylhydrazinylidene)-N-ethyl-N-methylbut-1-en-2-amine is C=C(/C(C)=N/N(C)C)N(C)CC.
What is the InChIKey of (3E)-3-(dimethylhydrazinylidene)-N-ethyl-N-methylbut-1-en-2-amine?
The InChIKey is PZSMCLFAANOFFX-CSKARUKUSA-N. The full InChI is InChI=1S/C9H19N3/c1-7-12(6)9(3)8(2)10-11(4)5/h3,7H2,1-2,4-6H3/b10-8+.
What are the key properties of (3E)-3-(dimethylhydrazinylidene)-N-ethyl-N-methylbut-1-en-2-amine?
(3E)-3-(dimethylhydrazinylidene)-N-ethyl-N-methylbut-1-en-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(dimethylhydrazinylidene)-N-ethyl-N-methylbut-1-en-2-amine is sourced from PubChem (CID 58765056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).