N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide

C7H12N2 — CID 138459867

IUPACN-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
SMILESC=N/C(C)=N/C=C(C)C
InChIInChI=1S/C7H12N2/c1-6(2)5-9-7(3)8-4/h5H,4H2,1-3H3/b9-7+
InChIKeyPVINGFOFRAAMMJ-VQHVLOKHSA-N
MW124.19 g/mol
LogP2.03
Rot. Bonds1

About N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide

N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide (PubChem CID 138459867) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide.

Molecular Properties

Compound NameN-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
PubChem CID138459867
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
SMILESC=N/C(C)=N/C=C(C)C
InChIInChI=1S/C7H12N2/c1-6(2)5-9-7(3)8-4/h5H,4H2,1-3H3/b9-7+
InChIKeyPVINGFOFRAAMMJ-VQHVLOKHSA-N
XLogP2.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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'-(2-fluoroprop-1-enyl)-N-methylidene-2-methyliminoethanimidamide
CID 90761546
2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
CID 145136555
N'-[(E)-2-fluoroprop-1-enyl]-N-methylideneethanimidamide
CID 146806797
N'-[(E)-2-fluoroprop-1-enyl]-N-methylidenepropanimidamide
CID 169591632
N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethanimidamide
CID 162576759
N'-(2-methylprop-1-enyl)ethanimidamide
CID 85537671
N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide
CID 88586058
N-methylidene-N'-(2-methylprop-1-enyl)methanimidamide
CID 88936329
N'-(2-methylprop-1-enyl)propanimidamide
CID 89168246
N'-methyl-N-(2-methylprop-2-enylidene)ethanimidamide
CID 89519010
2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide
CID 126603063
N-ethylidene-N'-(2-methylprop-2-enyl)ethanimidamide
CID 126633433

Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
The IUPAC name of N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide (CID 138459867) is N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide.
What is the SMILES notation for N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
The canonical SMILES for N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide is C=N/C(C)=N/C=C(C)C.
What is the InChIKey of N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
The InChIKey is PVINGFOFRAAMMJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(2)5-9-7(3)8-4/h5H,4H2,1-3H3/b9-7+.
What are the key properties of N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide is sourced from PubChem (CID 138459867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).