N-methyl-N'-prop-1-enylethane-1,2-diimine

C6H10N2 — CID 90952594

IUPACN-methyl-N'-prop-1-enylethane-1,2-diimine
SMILESCC=C/N=C/C=N/C
InChIInChI=1S/C6H10N2/c1-3-4-8-6-5-7-2/h3-6H,1-2H3/b4-3?,7-5+,8-6+
InChIKeyRNWKATHBLINOMY-VXPMZICJSA-N
MW110.16 g/mol
LogP1.29
Rot. Bonds2

About N-methyl-N'-prop-1-enylethane-1,2-diimine

N-methyl-N'-prop-1-enylethane-1,2-diimine (PubChem CID 90952594) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N-methyl-N'-prop-1-enylethane-1,2-diimine.

Molecular Properties

Compound NameN-methyl-N'-prop-1-enylethane-1,2-diimine
PubChem CID90952594
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN-methyl-N'-prop-1-enylethane-1,2-diimine
SMILESCC=C/N=C/C=N/C
InChIInChI=1S/C6H10N2/c1-3-4-8-6-5-7-2/h3-6H,1-2H3/b4-3?,7-5+,8-6+
InChIKeyRNWKATHBLINOMY-VXPMZICJSA-N
XLogP1.29
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-prop-1-enylethane-1,2-diimine?
The IUPAC name of N-methyl-N'-prop-1-enylethane-1,2-diimine (CID 90952594) is N-methyl-N'-prop-1-enylethane-1,2-diimine.
What is the SMILES notation for N-methyl-N'-prop-1-enylethane-1,2-diimine?
The canonical SMILES for N-methyl-N'-prop-1-enylethane-1,2-diimine is CC=C/N=C/C=N/C.
What is the InChIKey of N-methyl-N'-prop-1-enylethane-1,2-diimine?
The InChIKey is RNWKATHBLINOMY-VXPMZICJSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-4-8-6-5-7-2/h3-6H,1-2H3/b4-3?,7-5+,8-6+.
What are the key properties of N-methyl-N'-prop-1-enylethane-1,2-diimine?
N-methyl-N'-prop-1-enylethane-1,2-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-prop-1-enylethane-1,2-diimine is sourced from PubChem (CID 90952594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).