N'-butylmethanediimine

C5H10N2 — CID 19078960

IUPACN'-butylmethanediimine
SMILESCCCCN=C=N
InChIInChI=1S/C5H10N2/c1-2-3-4-7-5-6/h6H,2-4H2,1H3
InChIKeyLPMDNOPQLGRDMA-UHFFFAOYSA-N
MW98.15 g/mol
LogP1.54
Rot. Bonds3

About N'-butylmethanediimine

N'-butylmethanediimine (PubChem CID 19078960) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is N'-butylmethanediimine.

Molecular Properties

Compound NameN'-butylmethanediimine
PubChem CID19078960
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC NameN'-butylmethanediimine
SMILESCCCCN=C=N
InChIInChI=1S/C5H10N2/c1-2-3-4-7-5-6/h6H,2-4H2,1H3
InChIKeyLPMDNOPQLGRDMA-UHFFFAOYSA-N
XLogP1.54
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-butylmethanediimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-butylmethanediimine?
The IUPAC name of N'-butylmethanediimine (CID 19078960) is N'-butylmethanediimine.
What is the SMILES notation for N'-butylmethanediimine?
The canonical SMILES for N'-butylmethanediimine is CCCCN=C=N.
What is the InChIKey of N'-butylmethanediimine?
The InChIKey is LPMDNOPQLGRDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-2-3-4-7-5-6/h6H,2-4H2,1H3.
What are the key properties of N'-butylmethanediimine?
N'-butylmethanediimine has a molecular weight of 98.15 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butylmethanediimine is sourced from PubChem (CID 19078960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).