N'-[(2E,4E)-2,5,6-trimethylhepta-2,4,6-trienyl]propanimidamide

C13H22N2 — CID 134409241

IUPACN'-[(2E,4E)-2,5,6-trimethylhepta-2,4,6-trienyl]propanimidamide
SMILESC=C(C)/C(C)=C/C=C(\C)C/N=C(/N)CC
InChIInChI=1S/C13H22N2/c1-6-13(14)15-9-11(4)7-8-12(5)10(2)3/h7-8H,2,6,9H2,1,3-5H3,(H2,14,15)/b11-7+,12-8+
InChIKeyYGURHMQYZAJITJ-MKICQXMISA-N
MW206.33 g/mol
LogP3.22
Rot. Bonds5

About N'-[(2E,4E)-2,5,6-trimethylhepta-2,4,6-trienyl]propanimidamide

N'-[(2E,4E)-2,5,6-trimethylhepta-2,4,6-trienyl]propanimidamide (PubChem CID 134409241) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-[(2E,4E)-2,5,6-trimethylhepta-2,4,6-trienyl]propanimidamide.

Molecular Properties

Compound NameN'-[(2E,4E)-2,5,6-trimethylhepta-2,4,6-trienyl]propanimidamide
PubChem CID134409241
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-[(2E,4E)-2,5,6-trimethylhepta-2,4,6-trienyl]propanimidamide
SMILESC=C(C)/C(C)=C/C=C(\C)C/N=C(/N)CC
InChIInChI=1S/C13H22N2/c1-6-13(14)15-9-11(4)7-8-12(5)10(2)3/h7-8H,2,6,9H2,1,3-5H3,(H2,14,15)/b11-7+,12-8+
InChIKeyYGURHMQYZAJITJ-MKICQXMISA-N
XLogP3.22
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.22
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'-[(2E,4E)-2,5,6-trimethylhepta-2,4,6-trienyl]propanimidamide?
The IUPAC name of N'-[(2E,4E)-2,5,6-trimethylhepta-2,4,6-trienyl]propanimidamide (CID 134409241) is N'-[(2E,4E)-2,5,6-trimethylhepta-2,4,6-trienyl]propanimidamide.
What is the SMILES notation for N'-[(2E,4E)-2,5,6-trimethylhepta-2,4,6-trienyl]propanimidamide?
The canonical SMILES for N'-[(2E,4E)-2,5,6-trimethylhepta-2,4,6-trienyl]propanimidamide is C=C(C)/C(C)=C/C=C(\C)C/N=C(/N)CC.
What is the InChIKey of N'-[(2E,4E)-2,5,6-trimethylhepta-2,4,6-trienyl]propanimidamide?
The InChIKey is YGURHMQYZAJITJ-MKICQXMISA-N. The full InChI is InChI=1S/C13H22N2/c1-6-13(14)15-9-11(4)7-8-12(5)10(2)3/h7-8H,2,6,9H2,1,3-5H3,(H2,14,15)/b11-7+,12-8+.
What are the key properties of N'-[(2E,4E)-2,5,6-trimethylhepta-2,4,6-trienyl]propanimidamide?
N'-[(2E,4E)-2,5,6-trimethylhepta-2,4,6-trienyl]propanimidamide has a molecular weight of 206.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4E)-2,5,6-trimethylhepta-2,4,6-trienyl]propanimidamide is sourced from PubChem (CID 134409241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).