N,N'-bis(prop-2-enyl)methanimidamide

C7H12N2 — CID 55287141

IUPACN,N'-bis(prop-2-enyl)methanimidamide
SMILESC=CC/N=C/NCC=C
InChIInChI=1S/C7H12N2/c1-3-5-8-7-9-6-4-2/h3-4,7H,1-2,5-6H2,(H,8,9)
InChIKeyVMKNJMVVBWKVPK-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.98
Rot. Bonds5

About N,N'-bis(prop-2-enyl)methanimidamide

N,N'-bis(prop-2-enyl)methanimidamide (PubChem CID 55287141) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N,N'-bis(prop-2-enyl)methanimidamide.

Molecular Properties

Compound NameN,N'-bis(prop-2-enyl)methanimidamide
PubChem CID55287141
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN,N'-bis(prop-2-enyl)methanimidamide
SMILESC=CC/N=C/NCC=C
InChIInChI=1S/C7H12N2/c1-3-5-8-7-9-6-4-2/h3-4,7H,1-2,5-6H2,(H,8,9)
InChIKeyVMKNJMVVBWKVPK-UHFFFAOYSA-N
XLogP0.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.98
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(prop-2-enyl)methanimidamide?
The IUPAC name of N,N'-bis(prop-2-enyl)methanimidamide (CID 55287141) is N,N'-bis(prop-2-enyl)methanimidamide.
What is the SMILES notation for N,N'-bis(prop-2-enyl)methanimidamide?
The canonical SMILES for N,N'-bis(prop-2-enyl)methanimidamide is C=CC/N=C/NCC=C.
What is the InChIKey of N,N'-bis(prop-2-enyl)methanimidamide?
The InChIKey is VMKNJMVVBWKVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-8-7-9-6-4-2/h3-4,7H,1-2,5-6H2,(H,8,9).
What are the key properties of N,N'-bis(prop-2-enyl)methanimidamide?
N,N'-bis(prop-2-enyl)methanimidamide has a molecular weight of 124.19 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(prop-2-enyl)methanimidamide is sourced from PubChem (CID 55287141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).