N'-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimidamide

C13H24N2 — CID 146529162

IUPACN'-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimidamide
SMILESCC/C(C)=C/C(=C\N=C(/C)N)C(C)(C)C
InChIInChI=1S/C13H24N2/c1-7-10(2)8-12(13(4,5)6)9-15-11(3)14/h8-9H,7H2,1-6H3,(H2,14,15)/b10-8+,12-9+
InChIKeySIEJUWVUYFHEGI-AXDLQRQNSA-N
MW208.35 g/mol
LogP3.65
Rot. Bonds3

About N'-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimidamide

N'-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimidamide (PubChem CID 146529162) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N'-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimidamide
PubChem CID146529162
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN'-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimidamide
SMILESCC/C(C)=C/C(=C\N=C(/C)N)C(C)(C)C
InChIInChI=1S/C13H24N2/c1-7-10(2)8-12(13(4,5)6)9-15-11(3)14/h8-9H,7H2,1-6H3,(H2,14,15)/b10-8+,12-9+
InChIKeySIEJUWVUYFHEGI-AXDLQRQNSA-N
XLogP3.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.65
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

(E)-N'-ethenyl-3,4,4-trimethylpent-2-enimidamide
CID 88565109
4,6-diethyl-3H-azepin-2-amine
CID 90084188
N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide
CID 123664022
N'-[(1E)-2-tert-butylbuta-1,3-dienyl]ethanimidamide
CID 130254099
2,2-dimethyl-N'-[(1Z,3Z)-2-methylpenta-1,3-dienyl]propanimidamide
CID 132108296
N'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimidamide
CID 132252406
N'-[(1Z,3E)-2-methylpenta-1,3-dienyl]ethanimidamide
CID 134372298
N'-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]-2,2-dimethylpropanimidamide
CID 134396140
2-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]guanidine
CID 134590760
(3Z,5Z)-N'-[(3Z,5Z)-5-(aminomethylidene)hepta-3,6-dienyl]-6-ethylocta-3,5,7-trienimidamide
CID 135269209
N'-[(1Z,4Z)-4-tert-butyl-3-methylidenehexa-1,4-dienyl]-2-methylbut-3-enimidamide
CID 137446784
(Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide
CID 137446904

Frequently Asked Questions

What is the IUPAC name of N'-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimidamide?
The IUPAC name of N'-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimidamide (CID 146529162) is N'-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimidamide?
The canonical SMILES for N'-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimidamide is CC/C(C)=C/C(=C\N=C(/C)N)C(C)(C)C.
What is the InChIKey of N'-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimidamide?
The InChIKey is SIEJUWVUYFHEGI-AXDLQRQNSA-N. The full InChI is InChI=1S/C13H24N2/c1-7-10(2)8-12(13(4,5)6)9-15-11(3)14/h8-9H,7H2,1-6H3,(H2,14,15)/b10-8+,12-9+.
What are the key properties of N'-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimidamide?
N'-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimidamide has a molecular weight of 208.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 146529162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).