N-ethenyl-N'-(2-methylbutyl)methanimidamide

C8H16N2 — CID 123599745

IUPACN-ethenyl-N'-(2-methylbutyl)methanimidamide
SMILESC=CN/C=N/CC(C)CC
InChIInChI=1S/C8H16N2/c1-4-8(3)6-10-7-9-5-2/h5,7-8H,2,4,6H2,1,3H3,(H,9,10)
InChIKeyZPKMGGKVGSWVLL-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.79
Rot. Bonds5

About N-ethenyl-N'-(2-methylbutyl)methanimidamide

N-ethenyl-N'-(2-methylbutyl)methanimidamide (PubChem CID 123599745) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-ethenyl-N'-(2-methylbutyl)methanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-(2-methylbutyl)methanimidamide
PubChem CID123599745
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-ethenyl-N'-(2-methylbutyl)methanimidamide
SMILESC=CN/C=N/CC(C)CC
InChIInChI=1S/C8H16N2/c1-4-8(3)6-10-7-9-5-2/h5,7-8H,2,4,6H2,1,3H3,(H,9,10)
InChIKeyZPKMGGKVGSWVLL-UHFFFAOYSA-N
XLogP1.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.79
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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-(2-methylbutyl)methanimidamide?
The IUPAC name of N-ethenyl-N'-(2-methylbutyl)methanimidamide (CID 123599745) is N-ethenyl-N'-(2-methylbutyl)methanimidamide.
What is the SMILES notation for N-ethenyl-N'-(2-methylbutyl)methanimidamide?
The canonical SMILES for N-ethenyl-N'-(2-methylbutyl)methanimidamide is C=CN/C=N/CC(C)CC.
What is the InChIKey of N-ethenyl-N'-(2-methylbutyl)methanimidamide?
The InChIKey is ZPKMGGKVGSWVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-8(3)6-10-7-9-5-2/h5,7-8H,2,4,6H2,1,3H3,(H,9,10).
What are the key properties of N-ethenyl-N'-(2-methylbutyl)methanimidamide?
N-ethenyl-N'-(2-methylbutyl)methanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-(2-methylbutyl)methanimidamide is sourced from PubChem (CID 123599745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).