N'-[(2E,4Z)-3,7-dimethylocta-2,4,6-trienyl]methanimidamide

C11H18N2 — CID 163245515

IUPACN'-[(2E,4Z)-3,7-dimethylocta-2,4,6-trienyl]methanimidamide
SMILESCC(C)=C/C=C\C(C)=C\C/N=C/N
InChIInChI=1S/C11H18N2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h4-7,9H,8H2,1-3H3,(H2,12,13)/b6-4-,11-7+
InChIKeyUVQXSOPTIUBWLL-WXVRQDIQSA-N
MW178.28 g/mol
LogP2.44
Rot. Bonds4

About N'-[(2E,4Z)-3,7-dimethylocta-2,4,6-trienyl]methanimidamide

N'-[(2E,4Z)-3,7-dimethylocta-2,4,6-trienyl]methanimidamide (PubChem CID 163245515) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N'-[(2E,4Z)-3,7-dimethylocta-2,4,6-trienyl]methanimidamide.

Molecular Properties

Compound NameN'-[(2E,4Z)-3,7-dimethylocta-2,4,6-trienyl]methanimidamide
PubChem CID163245515
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN'-[(2E,4Z)-3,7-dimethylocta-2,4,6-trienyl]methanimidamide
SMILESCC(C)=C/C=C\C(C)=C\C/N=C/N
InChIInChI=1S/C11H18N2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h4-7,9H,8H2,1-3H3,(H2,12,13)/b6-4-,11-7+
InChIKeyUVQXSOPTIUBWLL-WXVRQDIQSA-N
XLogP2.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.44
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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Related Compounds

N'-[(2E,4Z)-3-ethenylhepta-2,4-dien-2-yl]methanimidamide
CID 88262945
2-[(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dienyl]guanidine
CID 88880587
N'-(2-ethylidenehex-3-enyl)propanimidamide
CID 91395600
2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine
CID 118403159
N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide
CID 118616847
N-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide
CID 121420160
2-(4-Methylcyclohexa-2,4-dien-1-yl)guanidine
CID 123579693
N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]methanimidamide
CID 126734111
(E)-2-[(Z)-prop-1-enyl]pent-2-ene-1,1-diamine
CID 130180649
N'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimidamide
CID 132252406
N'-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidamide
CID 137546928
N'-[(2E,4Z)-4-ethyl-8-methylnona-2,4,7-trienyl]-N-methylideneethanimidamide
CID 138483254

Frequently Asked Questions

What is the IUPAC name of N'-[(2E,4Z)-3,7-dimethylocta-2,4,6-trienyl]methanimidamide?
The IUPAC name of N'-[(2E,4Z)-3,7-dimethylocta-2,4,6-trienyl]methanimidamide (CID 163245515) is N'-[(2E,4Z)-3,7-dimethylocta-2,4,6-trienyl]methanimidamide.
What is the SMILES notation for N'-[(2E,4Z)-3,7-dimethylocta-2,4,6-trienyl]methanimidamide?
The canonical SMILES for N'-[(2E,4Z)-3,7-dimethylocta-2,4,6-trienyl]methanimidamide is CC(C)=C/C=C\C(C)=C\C/N=C/N.
What is the InChIKey of N'-[(2E,4Z)-3,7-dimethylocta-2,4,6-trienyl]methanimidamide?
The InChIKey is UVQXSOPTIUBWLL-WXVRQDIQSA-N. The full InChI is InChI=1S/C11H18N2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h4-7,9H,8H2,1-3H3,(H2,12,13)/b6-4-,11-7+.
What are the key properties of N'-[(2E,4Z)-3,7-dimethylocta-2,4,6-trienyl]methanimidamide?
N'-[(2E,4Z)-3,7-dimethylocta-2,4,6-trienyl]methanimidamide has a molecular weight of 178.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4Z)-3,7-dimethylocta-2,4,6-trienyl]methanimidamide is sourced from PubChem (CID 163245515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).