tert-butyl N-[3-(methylamino)cyclobutyl]carbamate;hydrochloride

C10H21ClN2O2 — CID 155822259

IUPACtert-butyl N-[3-(methylamino)cyclobutyl]carbamate;hydrochloride
SMILESCNC1CC(NC(=O)OC(C)(C)C)C1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-8-5-7(6-8)11-4;/h7-8,11H,5-6H2,1-4H3,(H,12,13);1H
InChIKeyGPKXDLZZIFTDLV-UHFFFAOYSA-N
MW236.74 g/mol
LogP1.68
Rot. Bonds2

About tert-butyl N-[3-(methylamino)cyclobutyl]carbamate;hydrochloride

tert-butyl N-[3-(methylamino)cyclobutyl]carbamate;hydrochloride (PubChem CID 155822259) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is tert-butyl N-[3-(methylamino)cyclobutyl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[3-(methylamino)cyclobutyl]carbamate;hydrochloride
PubChem CID155822259
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Nametert-butyl N-[3-(methylamino)cyclobutyl]carbamate;hydrochloride
SMILESCNC1CC(NC(=O)OC(C)(C)C)C1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-8-5-7(6-8)11-4;/h7-8,11H,5-6H2,1-4H3,(H,12,13);1H
InChIKeyGPKXDLZZIFTDLV-UHFFFAOYSA-N
XLogP1.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(methylamino)cyclobutyl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[3-(methylamino)cyclobutyl]carbamate;hydrochloride (CID 155822259) is tert-butyl N-[3-(methylamino)cyclobutyl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[3-(methylamino)cyclobutyl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[3-(methylamino)cyclobutyl]carbamate;hydrochloride is CNC1CC(NC(=O)OC(C)(C)C)C1.Cl.
What is the InChIKey of tert-butyl N-[3-(methylamino)cyclobutyl]carbamate;hydrochloride?
The InChIKey is GPKXDLZZIFTDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-8-5-7(6-8)11-4;/h7-8,11H,5-6H2,1-4H3,(H,12,13);1H.
What are the key properties of tert-butyl N-[3-(methylamino)cyclobutyl]carbamate;hydrochloride?
tert-butyl N-[3-(methylamino)cyclobutyl]carbamate;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(methylamino)cyclobutyl]carbamate;hydrochloride is sourced from PubChem (CID 155822259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).