N-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide

C12H22N2 — CID 177357027

IUPACN-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide
SMILESCCC/C=C(/C=C\N/C(C)=N/C)CC
InChIInChI=1S/C12H22N2/c1-5-7-8-12(6-2)9-10-14-11(3)13-4/h8-10H,5-7H2,1-4H3,(H,13,14)/b10-9-,12-8+
InChIKeyXFBPWBOXUPIHSD-XAYCDYAHSA-N
MW194.32 g/mol
LogP3.27
Rot. Bonds5

About N-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide

N-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide (PubChem CID 177357027) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide
PubChem CID177357027
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide
SMILESCCC/C=C(/C=C\N/C(C)=N/C)CC
InChIInChI=1S/C12H22N2/c1-5-7-8-12(6-2)9-10-14-11(3)13-4/h8-10H,5-7H2,1-4H3,(H,13,14)/b10-9-,12-8+
InChIKeyXFBPWBOXUPIHSD-XAYCDYAHSA-N
XLogP3.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.27
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'}

Analyze N-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-1,3-dihydroazepin-2-imine
CID 137197350
(Z)-N-[(E)-but-1-enyl]-N'-[(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hepta-3,5-dienyl]but-2-enimidamide
CID 146646548
N-methyl-1,3-dihydroazepin-2-imine
CID 136209100
N-[(1Z,3Z)-3-(1-amino-1-fluoroethyl)hepta-1,3-dienyl]-N'-methylethanimidamide
CID 177357033
1,2-Dihydroimidazol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)
CID 87611506
N-methyl-2-[(1E,3Z,5Z)-5-methylhepta-1,3,5-trienyl]iminoethanamine
CID 88538338
N-[(1Z)-3-ethyl-1-(ethylideneamino)hepta-1,3-dienyl]-N'-methylethanimidamide
CID 91058188
N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide
CID 91616301
N'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide
CID 123457912
(4E)-7-ethylidene-1,6-dihydro-1,3-diazonine
CID 123502113
N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide
CID 123664022
(Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide
CID 129302968

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide?
The IUPAC name of N-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide (CID 177357027) is N-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide.
What is the SMILES notation for N-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide?
The canonical SMILES for N-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide is CCC/C=C(/C=C\N/C(C)=N/C)CC.
What is the InChIKey of N-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide?
The InChIKey is XFBPWBOXUPIHSD-XAYCDYAHSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-7-8-12(6-2)9-10-14-11(3)13-4/h8-10H,5-7H2,1-4H3,(H,13,14)/b10-9-,12-8+.
What are the key properties of N-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide?
N-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide has a molecular weight of 194.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-3-ethylhepta-1,3-dienyl]-N'-methylethanimidamide is sourced from PubChem (CID 177357027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).