tert-butyl N-[3-(methyliminomethyl)cyclobutyl]carbamate

C11H20N2O2 — CID 70328966

IUPACtert-butyl N-[3-(methyliminomethyl)cyclobutyl]carbamate
SMILESC/N=C/C1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-5-8(6-9)7-12-4/h7-9H,5-6H2,1-4H3,(H,13,14)/b12-7+
InChIKeyFNICQAPYFHNTTA-KPKJPENVSA-N
MW212.29 g/mol
LogP1.99
Rot. Bonds2

About tert-butyl N-[3-(methyliminomethyl)cyclobutyl]carbamate

tert-butyl N-[3-(methyliminomethyl)cyclobutyl]carbamate (PubChem CID 70328966) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is tert-butyl N-[3-(methyliminomethyl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(methyliminomethyl)cyclobutyl]carbamate
PubChem CID70328966
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nametert-butyl N-[3-(methyliminomethyl)cyclobutyl]carbamate
SMILESC/N=C/C1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-5-8(6-9)7-12-4/h7-9H,5-6H2,1-4H3,(H,13,14)/b12-7+
InChIKeyFNICQAPYFHNTTA-KPKJPENVSA-N
XLogP1.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-(methyliminomethyl)cyclobutyl]carbamate 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 tert-butyl N-[3-(methyliminomethyl)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(methyliminomethyl)cyclobutyl]carbamate (CID 70328966) is tert-butyl N-[3-(methyliminomethyl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(methyliminomethyl)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(methyliminomethyl)cyclobutyl]carbamate is C/N=C/C1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(methyliminomethyl)cyclobutyl]carbamate?
The InChIKey is FNICQAPYFHNTTA-KPKJPENVSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-5-8(6-9)7-12-4/h7-9H,5-6H2,1-4H3,(H,13,14)/b12-7+.
What are the key properties of tert-butyl N-[3-(methyliminomethyl)cyclobutyl]carbamate?
tert-butyl N-[3-(methyliminomethyl)cyclobutyl]carbamate has a molecular weight of 212.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(methyliminomethyl)cyclobutyl]carbamate is sourced from PubChem (CID 70328966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).