N'-[(E)-2-methylbut-1-enyl]-N-methylidenemethanimidamide

C7H12N2 — CID 156532584

IUPACN'-[(E)-2-methylbut-1-enyl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C=C(\C)CC
InChIInChI=1S/C7H12N2/c1-4-7(2)5-9-6-8-3/h5-6H,3-4H2,1-2H3/b7-5+,9-6+
InChIKeyGDAQWTDTLYAFAU-PDTNFJSOSA-N
MW124.19 g/mol
LogP2.03
Rot. Bonds3

About N'-[(E)-2-methylbut-1-enyl]-N-methylidenemethanimidamide

N'-[(E)-2-methylbut-1-enyl]-N-methylidenemethanimidamide (PubChem CID 156532584) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-[(E)-2-methylbut-1-enyl]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-methylbut-1-enyl]-N-methylidenemethanimidamide
PubChem CID156532584
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-[(E)-2-methylbut-1-enyl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C=C(\C)CC
InChIInChI=1S/C7H12N2/c1-4-7(2)5-9-6-8-3/h5-6H,3-4H2,1-2H3/b7-5+,9-6+
InChIKeyGDAQWTDTLYAFAU-PDTNFJSOSA-N
XLogP2.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
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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Related Compounds

N-methylidene-N'-(2-methylprop-1-enyl)methanimidamide
CID 88936329
N-(aminomethylidene)-N'-(2-methylprop-1-enyl)methanimidamide
CID 89585196
N'-[(E)-2-methylbut-1-enyl]methanimidamide
CID 118501011
N'-but-1-enyl-N-methylidenemethanimidamide
CID 123151718
N'-(2-methylprop-1-enyl)methanimidamide
CID 123186436
N,N'-dimethyl-N-(2-methylprop-1-enyl)methanimidamide
CID 123341683
N-(2-methylbut-1-enyl)methanimine
CID 123446549
6-methyl-5H-1,3-diazepine
CID 123768170
5-Methyl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 126590930
N,N-dimethyl-N'-(2-methylprop-1-enyl)methanimidamide
CID 130230494
1-Methylidene-2-(2-methylprop-1-enyl)guanidine
CID 134502423
N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide
CID 135210358

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-methylbut-1-enyl]-N-methylidenemethanimidamide?
The IUPAC name of N'-[(E)-2-methylbut-1-enyl]-N-methylidenemethanimidamide (CID 156532584) is N'-[(E)-2-methylbut-1-enyl]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[(E)-2-methylbut-1-enyl]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[(E)-2-methylbut-1-enyl]-N-methylidenemethanimidamide is C=N/C=N/C=C(\C)CC.
What is the InChIKey of N'-[(E)-2-methylbut-1-enyl]-N-methylidenemethanimidamide?
The InChIKey is GDAQWTDTLYAFAU-PDTNFJSOSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7(2)5-9-6-8-3/h5-6H,3-4H2,1-2H3/b7-5+,9-6+.
What are the key properties of N'-[(E)-2-methylbut-1-enyl]-N-methylidenemethanimidamide?
N'-[(E)-2-methylbut-1-enyl]-N-methylidenemethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-methylbut-1-enyl]-N-methylidenemethanimidamide is sourced from PubChem (CID 156532584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).