N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide

C12H18N2 — CID 134214435

IUPACN'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide
SMILESC=C/C=C(C)/C(C)=C\N=C(/C)NC=C
InChIInChI=1S/C12H18N2/c1-6-8-10(3)11(4)9-14-12(5)13-7-2/h6-9H,1-2H2,3-5H3,(H,13,14)/b10-8+,11-9-
InChIKeyIOUUGIXHOSHPRG-GOOGBFEESA-N
MW190.29 g/mol
LogP3.17
Rot. Bonds4

About N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide

N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide (PubChem CID 134214435) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide.

Molecular Properties

Compound NameN'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide
PubChem CID134214435
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide
SMILESC=C/C=C(C)/C(C)=C\N=C(/C)NC=C
InChIInChI=1S/C12H18N2/c1-6-8-10(3)11(4)9-14-12(5)13-7-2/h6-9H,1-2H2,3-5H3,(H,13,14)/b10-8+,11-9-
InChIKeyIOUUGIXHOSHPRG-GOOGBFEESA-N
XLogP3.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.17
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'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide?
The IUPAC name of N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide (CID 134214435) is N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide.
What is the SMILES notation for N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide?
The canonical SMILES for N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide is C=C/C=C(C)/C(C)=C\N=C(/C)NC=C.
What is the InChIKey of N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide?
The InChIKey is IOUUGIXHOSHPRG-GOOGBFEESA-N. The full InChI is InChI=1S/C12H18N2/c1-6-8-10(3)11(4)9-14-12(5)13-7-2/h6-9H,1-2H2,3-5H3,(H,13,14)/b10-8+,11-9-.
What are the key properties of N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide?
N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide has a molecular weight of 190.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide is sourced from PubChem (CID 134214435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).