N-methyl-N'-prop-1-en-2-ylmethanediimine

C5H8N2 — CID 139761754

IUPACN-methyl-N'-prop-1-en-2-ylmethanediimine
SMILESC=C(C)N=C=NC
InChIInChI=1S/C5H8N2/c1-5(2)7-4-6-3/h1H2,2-3H3
InChIKeyNRGSOKLJRLYNSS-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.32
Rot. Bonds1

About N-methyl-N'-prop-1-en-2-ylmethanediimine

N-methyl-N'-prop-1-en-2-ylmethanediimine (PubChem CID 139761754) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is N-methyl-N'-prop-1-en-2-ylmethanediimine.

Molecular Properties

Compound NameN-methyl-N'-prop-1-en-2-ylmethanediimine
PubChem CID139761754
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC NameN-methyl-N'-prop-1-en-2-ylmethanediimine
SMILESC=C(C)N=C=NC
InChIInChI=1S/C5H8N2/c1-5(2)7-4-6-3/h1H2,2-3H3
InChIKeyNRGSOKLJRLYNSS-UHFFFAOYSA-N
XLogP1.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(prop-1-en-2-yl)methanediimine
CID 53630483
N'-prop-1-en-2-ylmethanediimine
CID 53630501
N-propan-2-yl-N'-prop-1-en-2-ylmethanediimine
CID 89535432
1-Methylidene-2-prop-1-en-2-ylguanidine
CID 123445193
N'-but-1-en-2-yl-N-methylidenemethanimidamide
CID 123772088
N'-but-2-en-2-yl-N-methylidenemethanimidamide
CID 123795790
N-methylidene-N'-prop-1-en-2-ylmethanimidamide
CID 123870894
N'-[(Z)-but-2-en-2-yl]-N-methylidenemethanimidamide
CID 130280409
2-Prop-1-en-2-ylguanidine
CID 142003651
Ethane;1-methylidene-2-prop-1-en-2-ylguanidine
CID 143179181
ethane;N-methylidene-N'-prop-1-en-2-ylmethanimidamide
CID 143495855
ethane;N-prop-1-en-2-ylmethanimine
CID 143922364

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-prop-1-en-2-ylmethanediimine?
The IUPAC name of N-methyl-N'-prop-1-en-2-ylmethanediimine (CID 139761754) is N-methyl-N'-prop-1-en-2-ylmethanediimine.
What is the SMILES notation for N-methyl-N'-prop-1-en-2-ylmethanediimine?
The canonical SMILES for N-methyl-N'-prop-1-en-2-ylmethanediimine is C=C(C)N=C=NC.
What is the InChIKey of N-methyl-N'-prop-1-en-2-ylmethanediimine?
The InChIKey is NRGSOKLJRLYNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-5(2)7-4-6-3/h1H2,2-3H3.
What are the key properties of N-methyl-N'-prop-1-en-2-ylmethanediimine?
N-methyl-N'-prop-1-en-2-ylmethanediimine has a molecular weight of 96.13 g/mol, XLogP of 1.32, 1 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-en-2-ylmethanediimine is sourced from PubChem (CID 139761754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).