N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane

C15H28N2 — CID 143635653

IUPACN-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane
SMILESC=C(C)/C=C\C(=N\C=N\C)C(=C)C.CC.CC
InChIInChI=1S/C11H16N2.2C2H6/c1-9(2)6-7-11(10(3)4)13-8-12-5;2*1-2/h6-8H,1,3H2,2,4-5H3;2*1-2H3/b7-6-,12-8+,13-11-;;
InChIKeyOHHVCEITPFSHJV-VQNWQORTSA-N
MW236.40 g/mol
LogP4.85
Rot. Bonds4

About N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane

N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane (PubChem CID 143635653) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane.

Molecular Properties

Compound NameN-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane
PubChem CID143635653
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane
SMILESC=C(C)/C=C\C(=N\C=N\C)C(=C)C.CC.CC
InChIInChI=1S/C11H16N2.2C2H6/c1-9(2)6-7-11(10(3)4)13-8-12-5;2*1-2/h6-8H,1,3H2,2,4-5H3;2*1-2H3/b7-6-,12-8+,13-11-;;
InChIKeyOHHVCEITPFSHJV-VQNWQORTSA-N
XLogP4.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
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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Related Compounds

4H-cyclohepta[d]pyrimidine
CID 45080391
(NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride
CID 142498574
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide
CID 170031327
5-methyl-2H-benzimidazole
CID 22891152
6-methyl-3aH-benzimidazole
CID 53400306
5-methyl-3aH-benzimidazole
CID 53402968
1-N,2-N,4-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 53921814
(3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine
CID 89033543
(5E)-4-methyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidine
CID 89038797
(4Z)-N-methyl-3-propan-2-ylidenehepta-4,6-dien-2-imine
CID 89376422
1-N,2-N,3-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 89378852

Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane?
The IUPAC name of N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane (CID 143635653) is N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane.
What is the SMILES notation for N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane?
The canonical SMILES for N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane is C=C(C)/C=C\C(=N\C=N\C)C(=C)C.CC.CC.
What is the InChIKey of N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane?
The InChIKey is OHHVCEITPFSHJV-VQNWQORTSA-N. The full InChI is InChI=1S/C11H16N2.2C2H6/c1-9(2)6-7-11(10(3)4)13-8-12-5;2*1-2/h6-8H,1,3H2,2,4-5H3;2*1-2H3/b7-6-,12-8+,13-11-;;.
What are the key properties of N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane?
N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane has a molecular weight of 236.40 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane is sourced from PubChem (CID 143635653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).