N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide

C15H24N2 — CID 134214393

IUPACN-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide
SMILESC=C/C=C(C)/C=C(\N/C(C)=N/C=C)C(C)CC
InChIInChI=1S/C15H24N2/c1-7-10-12(4)11-15(13(5)8-2)17-14(6)16-9-3/h7,9-11,13H,1,3,8H2,2,4-6H3,(H,16,17)/b12-10+,15-11-
InChIKeySXZJXWSEXINMCA-NJFTWXLASA-N
MW232.37 g/mol
LogP4.20
Rot. Bonds6

About N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide

N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide (PubChem CID 134214393) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide.

Molecular Properties

Compound NameN-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide
PubChem CID134214393
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide
SMILESC=C/C=C(C)/C=C(\N/C(C)=N/C=C)C(C)CC
InChIInChI=1S/C15H24N2/c1-7-10-12(4)11-15(13(5)8-2)17-14(6)16-9-3/h7,9-11,13H,1,3,8H2,2,4-6H3,(H,16,17)/b12-10+,15-11-
InChIKeySXZJXWSEXINMCA-NJFTWXLASA-N
XLogP4.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide?
The IUPAC name of N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide (CID 134214393) is N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide.
What is the SMILES notation for N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide?
The canonical SMILES for N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide is C=C/C=C(C)/C=C(\N/C(C)=N/C=C)C(C)CC.
What is the InChIKey of N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide?
The InChIKey is SXZJXWSEXINMCA-NJFTWXLASA-N. The full InChI is InChI=1S/C15H24N2/c1-7-10-12(4)11-15(13(5)8-2)17-14(6)16-9-3/h7,9-11,13H,1,3,8H2,2,4-6H3,(H,16,17)/b12-10+,15-11-.
What are the key properties of N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide?
N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide has a molecular weight of 232.37 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide is sourced from PubChem (CID 134214393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).