1-ethyl-2-methyl-1-[(1E)-3-methylbuta-1,3-dienyl]hydrazine

C8H16N2 — CID 166992049

IUPAC1-ethyl-2-methyl-1-[(1E)-3-methylbuta-1,3-dienyl]hydrazine
SMILESC=C(C)/C=C/N(CC)NC
InChIInChI=1S/C8H16N2/c1-5-10(9-4)7-6-8(2)3/h6-7,9H,2,5H2,1,3-4H3/b7-6+
InChIKeyZVEFOWPBXUZQAN-VOTSOKGWSA-N
MW140.23 g/mol
LogP1.53
Rot. Bonds4

About 1-ethyl-2-methyl-1-[(1E)-3-methylbuta-1,3-dienyl]hydrazine

1-ethyl-2-methyl-1-[(1E)-3-methylbuta-1,3-dienyl]hydrazine (PubChem CID 166992049) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-ethyl-2-methyl-1-[(1E)-3-methylbuta-1,3-dienyl]hydrazine.

Molecular Properties

Compound Name1-ethyl-2-methyl-1-[(1E)-3-methylbuta-1,3-dienyl]hydrazine
PubChem CID166992049
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-ethyl-2-methyl-1-[(1E)-3-methylbuta-1,3-dienyl]hydrazine
SMILESC=C(C)/C=C/N(CC)NC
InChIInChI=1S/C8H16N2/c1-5-10(9-4)7-6-8(2)3/h6-7,9H,2,5H2,1,3-4H3/b7-6+
InChIKeyZVEFOWPBXUZQAN-VOTSOKGWSA-N
XLogP1.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-1-[(1E)-3-methylbuta-1,3-dienyl]hydrazine?
The IUPAC name of 1-ethyl-2-methyl-1-[(1E)-3-methylbuta-1,3-dienyl]hydrazine (CID 166992049) is 1-ethyl-2-methyl-1-[(1E)-3-methylbuta-1,3-dienyl]hydrazine.
What is the SMILES notation for 1-ethyl-2-methyl-1-[(1E)-3-methylbuta-1,3-dienyl]hydrazine?
The canonical SMILES for 1-ethyl-2-methyl-1-[(1E)-3-methylbuta-1,3-dienyl]hydrazine is C=C(C)/C=C/N(CC)NC.
What is the InChIKey of 1-ethyl-2-methyl-1-[(1E)-3-methylbuta-1,3-dienyl]hydrazine?
The InChIKey is ZVEFOWPBXUZQAN-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-10(9-4)7-6-8(2)3/h6-7,9H,2,5H2,1,3-4H3/b7-6+.
What are the key properties of 1-ethyl-2-methyl-1-[(1E)-3-methylbuta-1,3-dienyl]hydrazine?
1-ethyl-2-methyl-1-[(1E)-3-methylbuta-1,3-dienyl]hydrazine has a molecular weight of 140.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-1-[(1E)-3-methylbuta-1,3-dienyl]hydrazine is sourced from PubChem (CID 166992049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).