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

C6H10N2 — CID 88936329

IUPACN-methylidene-N'-(2-methylprop-1-enyl)methanimidamide
SMILESC=N/C=N/C=C(C)C
InChIInChI=1S/C6H10N2/c1-6(2)4-8-5-7-3/h4-5H,3H2,1-2H3/b8-5+
InChIKeyMDRXHFYLJMCIRS-VMPITWQZSA-N
MW110.16 g/mol
LogP1.64
Rot. Bonds2

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

N-methylidene-N'-(2-methylprop-1-enyl)methanimidamide (PubChem CID 88936329) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N-methylidene-N'-(2-methylprop-1-enyl)methanimidamide.

Molecular Properties

Compound NameN-methylidene-N'-(2-methylprop-1-enyl)methanimidamide
PubChem CID88936329
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN-methylidene-N'-(2-methylprop-1-enyl)methanimidamide
SMILESC=N/C=N/C=C(C)C
InChIInChI=1S/C6H10N2/c1-6(2)4-8-5-7-3/h4-5H,3H2,1-2H3/b8-5+
InChIKeyMDRXHFYLJMCIRS-VMPITWQZSA-N
XLogP1.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-(2-methylprop-1-enyl)methanimidamide?
The IUPAC name of N-methylidene-N'-(2-methylprop-1-enyl)methanimidamide (CID 88936329) is N-methylidene-N'-(2-methylprop-1-enyl)methanimidamide.
What is the SMILES notation for N-methylidene-N'-(2-methylprop-1-enyl)methanimidamide?
The canonical SMILES for N-methylidene-N'-(2-methylprop-1-enyl)methanimidamide is C=N/C=N/C=C(C)C.
What is the InChIKey of N-methylidene-N'-(2-methylprop-1-enyl)methanimidamide?
The InChIKey is MDRXHFYLJMCIRS-VMPITWQZSA-N. The full InChI is InChI=1S/C6H10N2/c1-6(2)4-8-5-7-3/h4-5H,3H2,1-2H3/b8-5+.
What are the key properties of N-methylidene-N'-(2-methylprop-1-enyl)methanimidamide?
N-methylidene-N'-(2-methylprop-1-enyl)methanimidamide has a molecular weight of 110.16 g/mol, XLogP of 1.64, 2 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)methanimidamide is sourced from PubChem (CID 88936329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).