1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylhydrazine

C8H14N2 — CID 118642058

IUPAC1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylhydrazine
SMILESC=C/C=C(\C=C/C)N(C)N
InChIInChI=1S/C8H14N2/c1-4-6-8(7-5-2)10(3)9/h4-7H,1,9H2,2-3H3/b7-5-,8-6+
InChIKeyKDCDGTIKMIXAOJ-CGXWXWIYSA-N
MW138.21 g/mol
LogP1.44
Rot. Bonds3

About 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylhydrazine

1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylhydrazine (PubChem CID 118642058) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylhydrazine
PubChem CID118642058
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylhydrazine
SMILESC=C/C=C(\C=C/C)N(C)N
InChIInChI=1S/C8H14N2/c1-4-6-8(7-5-2)10(3)9/h4-7H,1,9H2,2-3H3/b7-5-,8-6+
InChIKeyKDCDGTIKMIXAOJ-CGXWXWIYSA-N
XLogP1.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylhydrazine?
The IUPAC name of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylhydrazine (CID 118642058) is 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylhydrazine.
What is the SMILES notation for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylhydrazine?
The canonical SMILES for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylhydrazine is C=C/C=C(\C=C/C)N(C)N.
What is the InChIKey of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylhydrazine?
The InChIKey is KDCDGTIKMIXAOJ-CGXWXWIYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-6-8(7-5-2)10(3)9/h4-7H,1,9H2,2-3H3/b7-5-,8-6+.
What are the key properties of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylhydrazine?
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylhydrazine has a molecular weight of 138.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylhydrazine is sourced from PubChem (CID 118642058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).