N-ethyl-N'-propylmethanediimine

C6H12N2 — CID 19089136

IUPACN-ethyl-N'-propylmethanediimine
SMILESCCCN=C=NCC
InChIInChI=1S/C6H12N2/c1-3-5-8-6-7-4-2/h3-5H2,1-2H3
InChIKeySIUPPTRKFWMXIE-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.59
Rot. Bonds3

About N-ethyl-N'-propylmethanediimine

N-ethyl-N'-propylmethanediimine (PubChem CID 19089136) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-ethyl-N'-propylmethanediimine.

Molecular Properties

Compound NameN-ethyl-N'-propylmethanediimine
PubChem CID19089136
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-ethyl-N'-propylmethanediimine
SMILESCCCN=C=NCC
InChIInChI=1S/C6H12N2/c1-3-5-8-6-7-4-2/h3-5H2,1-2H3
InChIKeySIUPPTRKFWMXIE-UHFFFAOYSA-N
XLogP1.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.59
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-ethyl-N'-propylmethanediimine?
The IUPAC name of N-ethyl-N'-propylmethanediimine (CID 19089136) is N-ethyl-N'-propylmethanediimine.
What is the SMILES notation for N-ethyl-N'-propylmethanediimine?
The canonical SMILES for N-ethyl-N'-propylmethanediimine is CCCN=C=NCC.
What is the InChIKey of N-ethyl-N'-propylmethanediimine?
The InChIKey is SIUPPTRKFWMXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-5-8-6-7-4-2/h3-5H2,1-2H3.
What are the key properties of N-ethyl-N'-propylmethanediimine?
N-ethyl-N'-propylmethanediimine has a molecular weight of 112.18 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-propylmethanediimine is sourced from PubChem (CID 19089136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).