[(3Z)-9-methyl-8-(methylamino)-3-propylideneundeca-4,5-dienyl] (1Z)-N,N-dimethylethanehydrazonate

C20H37N3O — CID 166728161

IUPAC[(3Z)-9-methyl-8-(methylamino)-3-propylideneundeca-4,5-dienyl] (1Z)-N,N-dimethylethanehydrazonate
SMILESCC/C=C(\C=C=CCC(NC)C(C)CC)CCO/C(C)=N\N(C)C
InChIInChI=1S/C20H37N3O/c1-8-12-19(15-16-24-18(4)22-23(6)7)13-10-11-14-20(21-5)17(3)9-2/h11-13,17,20-21H,8-9,14-16H2,1-7H3/b19-12+,22-18-
InChIKeyKCPCTELWRZKSCC-OWMYFPPESA-N
MW335.54 g/mol
LogP4.36
Rot. Bonds11

About [(3Z)-9-methyl-8-(methylamino)-3-propylideneundeca-4,5-dienyl] (1Z)-N,N-dimethylethanehydrazonate

[(3Z)-9-methyl-8-(methylamino)-3-propylideneundeca-4,5-dienyl] (1Z)-N,N-dimethylethanehydrazonate (PubChem CID 166728161) has the molecular formula C20H37N3O and a molecular weight of 335.54 g/mol. Its IUPAC name is [(3Z)-9-methyl-8-(methylamino)-3-propylideneundeca-4,5-dienyl] (1Z)-N,N-dimethylethanehydrazonate.

Molecular Properties

Compound Name[(3Z)-9-methyl-8-(methylamino)-3-propylideneundeca-4,5-dienyl] (1Z)-N,N-dimethylethanehydrazonate
PubChem CID166728161
Molecular FormulaC20H37N3O
Molecular Weight335.54 g/mol
Exact Mass335.29
IUPAC Name[(3Z)-9-methyl-8-(methylamino)-3-propylideneundeca-4,5-dienyl] (1Z)-N,N-dimethylethanehydrazonate
SMILESCC/C=C(\C=C=CCC(NC)C(C)CC)CCO/C(C)=N\N(C)C
InChIInChI=1S/C20H37N3O/c1-8-12-19(15-16-24-18(4)22-23(6)7)13-10-11-14-20(21-5)17(3)9-2/h11-13,17,20-21H,8-9,14-16H2,1-7H3/b19-12+,22-18-
InChIKeyKCPCTELWRZKSCC-OWMYFPPESA-N
XLogP4.36
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 [(3Z)-9-methyl-8-(methylamino)-3-propylideneundeca-4,5-dienyl] (1Z)-N,N-dimethylethanehydrazonate?
The IUPAC name of [(3Z)-9-methyl-8-(methylamino)-3-propylideneundeca-4,5-dienyl] (1Z)-N,N-dimethylethanehydrazonate (CID 166728161) is [(3Z)-9-methyl-8-(methylamino)-3-propylideneundeca-4,5-dienyl] (1Z)-N,N-dimethylethanehydrazonate.
What is the SMILES notation for [(3Z)-9-methyl-8-(methylamino)-3-propylideneundeca-4,5-dienyl] (1Z)-N,N-dimethylethanehydrazonate?
The canonical SMILES for [(3Z)-9-methyl-8-(methylamino)-3-propylideneundeca-4,5-dienyl] (1Z)-N,N-dimethylethanehydrazonate is CC/C=C(\C=C=CCC(NC)C(C)CC)CCO/C(C)=N\N(C)C.
What is the InChIKey of [(3Z)-9-methyl-8-(methylamino)-3-propylideneundeca-4,5-dienyl] (1Z)-N,N-dimethylethanehydrazonate?
The InChIKey is KCPCTELWRZKSCC-OWMYFPPESA-N. The full InChI is InChI=1S/C20H37N3O/c1-8-12-19(15-16-24-18(4)22-23(6)7)13-10-11-14-20(21-5)17(3)9-2/h11-13,17,20-21H,8-9,14-16H2,1-7H3/b19-12+,22-18-.
What are the key properties of [(3Z)-9-methyl-8-(methylamino)-3-propylideneundeca-4,5-dienyl] (1Z)-N,N-dimethylethanehydrazonate?
[(3Z)-9-methyl-8-(methylamino)-3-propylideneundeca-4,5-dienyl] (1Z)-N,N-dimethylethanehydrazonate has a molecular weight of 335.54 g/mol, XLogP of 4.36, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-9-methyl-8-(methylamino)-3-propylideneundeca-4,5-dienyl] (1Z)-N,N-dimethylethanehydrazonate is sourced from PubChem (CID 166728161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).