1-[(2E,4Z)-6-cyclopropylhepta-2,4,6-trien-2-yl]-1-methylhydrazine

C11H18N2 — CID 135190178

IUPAC1-[(2E,4Z)-6-cyclopropylhepta-2,4,6-trien-2-yl]-1-methylhydrazine
SMILESC=C(/C=C\C=C(/C)N(C)N)C1CC1
InChIInChI=1S/C11H18N2/c1-9(11-7-8-11)5-4-6-10(2)13(3)12/h4-6,11H,1,7-8,12H2,2-3H3/b5-4-,10-6+
InChIKeyQPKGXLLOLIIMGB-VWJYOPCBSA-N
MW178.28 g/mol
LogP2.22
Rot. Bonds4

About 1-[(2E,4Z)-6-cyclopropylhepta-2,4,6-trien-2-yl]-1-methylhydrazine

1-[(2E,4Z)-6-cyclopropylhepta-2,4,6-trien-2-yl]-1-methylhydrazine (PubChem CID 135190178) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[(2E,4Z)-6-cyclopropylhepta-2,4,6-trien-2-yl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[(2E,4Z)-6-cyclopropylhepta-2,4,6-trien-2-yl]-1-methylhydrazine
PubChem CID135190178
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-[(2E,4Z)-6-cyclopropylhepta-2,4,6-trien-2-yl]-1-methylhydrazine
SMILESC=C(/C=C\C=C(/C)N(C)N)C1CC1
InChIInChI=1S/C11H18N2/c1-9(11-7-8-11)5-4-6-10(2)13(3)12/h4-6,11H,1,7-8,12H2,2-3H3/b5-4-,10-6+
InChIKeyQPKGXLLOLIIMGB-VWJYOPCBSA-N
XLogP2.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.22
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-[(2E,4Z)-6-cyclopropylhepta-2,4,6-trien-2-yl]-1-methylhydrazine?
The IUPAC name of 1-[(2E,4Z)-6-cyclopropylhepta-2,4,6-trien-2-yl]-1-methylhydrazine (CID 135190178) is 1-[(2E,4Z)-6-cyclopropylhepta-2,4,6-trien-2-yl]-1-methylhydrazine.
What is the SMILES notation for 1-[(2E,4Z)-6-cyclopropylhepta-2,4,6-trien-2-yl]-1-methylhydrazine?
The canonical SMILES for 1-[(2E,4Z)-6-cyclopropylhepta-2,4,6-trien-2-yl]-1-methylhydrazine is C=C(/C=C\C=C(/C)N(C)N)C1CC1.
What is the InChIKey of 1-[(2E,4Z)-6-cyclopropylhepta-2,4,6-trien-2-yl]-1-methylhydrazine?
The InChIKey is QPKGXLLOLIIMGB-VWJYOPCBSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(11-7-8-11)5-4-6-10(2)13(3)12/h4-6,11H,1,7-8,12H2,2-3H3/b5-4-,10-6+.
What are the key properties of 1-[(2E,4Z)-6-cyclopropylhepta-2,4,6-trien-2-yl]-1-methylhydrazine?
1-[(2E,4Z)-6-cyclopropylhepta-2,4,6-trien-2-yl]-1-methylhydrazine has a molecular weight of 178.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-6-cyclopropylhepta-2,4,6-trien-2-yl]-1-methylhydrazine is sourced from PubChem (CID 135190178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).