N-methyl-N'-propylmethanediimine

C5H10N2 — CID 18695318

IUPACN-methyl-N'-propylmethanediimine
SMILESCCCN=C=NC
InChIInChI=1S/C5H10N2/c1-3-4-7-5-6-2/h3-4H2,1-2H3
InChIKeyQXHKSZBIXVHRNF-UHFFFAOYSA-N
MW98.15 g/mol
LogP1.20
Rot. Bonds2

About N-methyl-N'-propylmethanediimine

N-methyl-N'-propylmethanediimine (PubChem CID 18695318) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is N-methyl-N'-propylmethanediimine.

Molecular Properties

Compound NameN-methyl-N'-propylmethanediimine
PubChem CID18695318
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC NameN-methyl-N'-propylmethanediimine
SMILESCCCN=C=NC
InChIInChI=1S/C5H10N2/c1-3-4-7-5-6-2/h3-4H2,1-2H3
InChIKeyQXHKSZBIXVHRNF-UHFFFAOYSA-N
XLogP1.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 51.20
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

Diisopropylcarbodiimide
CID 12734
1-tert-Butyl-3-ethylcarbodiimide
CID 4594009
Propylguanidine
CID 447907
Di-n-butyl carbodiimide
CID 239294
Dipropyl carbodiimide
CID 12725951
Diethylcarbodiimide
CID 9833932
1-Ethyl-3-methyl carbodiimide
CID 12462583
N'-butyl-N-methylmethanediimine
CID 12594242
Propyl carbodiimide hy-drochloride
CID 18621663
Propyl carbodiimide
CID 18621664
Butylcarbodiimide
CID 19078960
propyl-N-ethylcarbodiimide
CID 19089136

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-propylmethanediimine?
The IUPAC name of N-methyl-N'-propylmethanediimine (CID 18695318) is N-methyl-N'-propylmethanediimine.
What is the SMILES notation for N-methyl-N'-propylmethanediimine?
The canonical SMILES for N-methyl-N'-propylmethanediimine is CCCN=C=NC.
What is the InChIKey of N-methyl-N'-propylmethanediimine?
The InChIKey is QXHKSZBIXVHRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-3-4-7-5-6-2/h3-4H2,1-2H3.
What are the key properties of N-methyl-N'-propylmethanediimine?
N-methyl-N'-propylmethanediimine has a molecular weight of 98.15 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-propylmethanediimine is sourced from PubChem (CID 18695318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).