N'-cyclobutylmethanediimine

C5H8N2 — CID 147997587

IUPACN'-cyclobutylmethanediimine
SMILESN=C=NC1CCC1
InChIInChI=1S/C5H8N2/c6-4-7-5-2-1-3-5/h5-6H,1-3H2
InChIKeyIWHQZBXIGXQYIB-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.29
Rot. Bonds1

About N'-cyclobutylmethanediimine

N'-cyclobutylmethanediimine (PubChem CID 147997587) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is N'-cyclobutylmethanediimine.

Molecular Properties

Compound NameN'-cyclobutylmethanediimine
PubChem CID147997587
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC NameN'-cyclobutylmethanediimine
SMILESN=C=NC1CCC1
InChIInChI=1S/C5H8N2/c6-4-7-5-2-1-3-5/h5-6H,1-3H2
InChIKeyIWHQZBXIGXQYIB-UHFFFAOYSA-N
XLogP1.29
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N''-cyclobutylguanidine
CID 20383377
Isopropylcarbodiimide
CID 19917292
2-(2-Fluorocyclobutyl)guanidine
CID 138545429
2-(3-Fluorocyclobutyl)guanidine
CID 138545433
N'-butan-2-ylmethanediimine
CID 22629780
N'-cyclobutylmethanimidamide
CID 54346963
(NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide
CID 134515806
N'-cyclobutyl-N-methylmethanediimine
CID 153992492
N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide
CID 173758828
2-Cyclobutyl-1-(diaminomethylidene)guanidine
CID 83036977
N'-pentan-2-ylmethanediimine
CID 87497856
n-Cyclobutylguanidine hydrochloride
CID 164664033

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutylmethanediimine?
The IUPAC name of N'-cyclobutylmethanediimine (CID 147997587) is N'-cyclobutylmethanediimine.
What is the SMILES notation for N'-cyclobutylmethanediimine?
The canonical SMILES for N'-cyclobutylmethanediimine is N=C=NC1CCC1.
What is the InChIKey of N'-cyclobutylmethanediimine?
The InChIKey is IWHQZBXIGXQYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c6-4-7-5-2-1-3-5/h5-6H,1-3H2.
What are the key properties of N'-cyclobutylmethanediimine?
N'-cyclobutylmethanediimine has a molecular weight of 96.13 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutylmethanediimine is sourced from PubChem (CID 147997587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).