N'-hexyl-N-(2-methylbut-1-enyl)ethanimidamide

C13H26N2 — CID 123489445

IUPACN'-hexyl-N-(2-methylbut-1-enyl)ethanimidamide
SMILESCCCCCC/N=C(\C)NC=C(C)CC
InChIInChI=1S/C13H26N2/c1-5-7-8-9-10-14-13(4)15-11-12(3)6-2/h11H,5-10H2,1-4H3,(H,14,15)
InChIKeyUUXLBNHVAFFLMG-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.89
Rot. Bonds7

About N'-hexyl-N-(2-methylbut-1-enyl)ethanimidamide

N'-hexyl-N-(2-methylbut-1-enyl)ethanimidamide (PubChem CID 123489445) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N'-hexyl-N-(2-methylbut-1-enyl)ethanimidamide.

Molecular Properties

Compound NameN'-hexyl-N-(2-methylbut-1-enyl)ethanimidamide
PubChem CID123489445
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN'-hexyl-N-(2-methylbut-1-enyl)ethanimidamide
SMILESCCCCCC/N=C(\C)NC=C(C)CC
InChIInChI=1S/C13H26N2/c1-5-7-8-9-10-14-13(4)15-11-12(3)6-2/h11H,5-10H2,1-4H3,(H,14,15)
InChIKeyUUXLBNHVAFFLMG-UHFFFAOYSA-N
XLogP3.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hexyl-N-(2-methylbut-1-enyl)ethanimidamide?
The IUPAC name of N'-hexyl-N-(2-methylbut-1-enyl)ethanimidamide (CID 123489445) is N'-hexyl-N-(2-methylbut-1-enyl)ethanimidamide.
What is the SMILES notation for N'-hexyl-N-(2-methylbut-1-enyl)ethanimidamide?
The canonical SMILES for N'-hexyl-N-(2-methylbut-1-enyl)ethanimidamide is CCCCCC/N=C(\C)NC=C(C)CC.
What is the InChIKey of N'-hexyl-N-(2-methylbut-1-enyl)ethanimidamide?
The InChIKey is UUXLBNHVAFFLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-7-8-9-10-14-13(4)15-11-12(3)6-2/h11H,5-10H2,1-4H3,(H,14,15).
What are the key properties of N'-hexyl-N-(2-methylbut-1-enyl)ethanimidamide?
N'-hexyl-N-(2-methylbut-1-enyl)ethanimidamide has a molecular weight of 210.36 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexyl-N-(2-methylbut-1-enyl)ethanimidamide is sourced from PubChem (CID 123489445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).