cyclobutane;methanediimine

C5H10N2 — CID 175046874

IUPACcyclobutane;methanediimine
SMILESC1CCC1.N=C=N
InChIInChI=1S/C4H8.CH2N2/c1-2-4-3-1;2-1-3/h1-4H2;2-3H
InChIKeyHTRQGKSZSIIZHL-UHFFFAOYSA-N
MW98.15 g/mol
LogP1.88
Rot. Bonds

About cyclobutane;methanediimine

cyclobutane;methanediimine (PubChem CID 175046874) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is cyclobutane;methanediimine.

Molecular Properties

Compound Namecyclobutane;methanediimine
PubChem CID175046874
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Namecyclobutane;methanediimine
SMILESC1CCC1.N=C=N
InChIInChI=1S/C4H8.CH2N2/c1-2-4-3-1;2-1-3/h1-4H2;2-3H
InChIKeyHTRQGKSZSIIZHL-UHFFFAOYSA-N
XLogP1.88
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane;methanediimine
CID 161069555
tetrakis(cycloheptane);isocyanic acid
CID 175153794
cyclopropane;isocyanic acid
CID 88635967
methanediimine
CID 161145332
cyclopropane;isothiocyanic acid
CID 160696657
cyclohexane;isocyanic acid;methane
CID 172752556
methanediimine;zirconium
CID 175955107
cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane
CID 159212715
cyclohexene;methanediimine
CID 135389565
cyclooctacosane
CID 520451
cyclooctane
CID 9266
cyclobutane;cyclopropane
CID 159057906

Frequently Asked Questions

What is the IUPAC name of cyclobutane;methanediimine?
The IUPAC name of cyclobutane;methanediimine (CID 175046874) is cyclobutane;methanediimine.
What is the SMILES notation for cyclobutane;methanediimine?
The canonical SMILES for cyclobutane;methanediimine is C1CCC1.N=C=N.
What is the InChIKey of cyclobutane;methanediimine?
The InChIKey is HTRQGKSZSIIZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.CH2N2/c1-2-4-3-1;2-1-3/h1-4H2;2-3H.
What are the key properties of cyclobutane;methanediimine?
cyclobutane;methanediimine has a molecular weight of 98.15 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;methanediimine is sourced from PubChem (CID 175046874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).