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

C10H20N2O2 — CID 80559104

IUPACtert-butyl N-[3-(methylamino)cyclobutyl]carbamate
SMILESCNC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H20N2O2/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)
InChIKeyMCNDOUJOQHVZFB-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.26
Rot. Bonds2

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

tert-butyl N-[3-(methylamino)cyclobutyl]carbamate (PubChem CID 80559104) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl N-[3-(methylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(methylamino)cyclobutyl]carbamate
PubChem CID80559104
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl N-[3-(methylamino)cyclobutyl]carbamate
SMILESCNC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H20N2O2/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)
InChIKeyMCNDOUJOQHVZFB-UHFFFAOYSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(4-aminobutyl)carbamate
CID 4351
tert-Butyl (3-((4-((3-aminopropyl)amino)butyl)amino)propyl)carbamate
CID 9882867
N-(tert-Butoxycarbonyl)-1,5-diaminopentane
CID 4352
tert-Butyl (3-aminopropyl)carbamate
CID 2735700
Tert-butyl N-butylcarbamate
CID 4271883
1,1-Dimethylethyl N-(3-((3-aminopropyl)amino)propyl)carbamate
CID 2786632
tert-butyl N-(1,3-diaminopropan-2-yl)carbamate
CID 11084635
rac-tert-butyl N-((1r,3r)-3-aminocyclobutyl)carbamate
CID 16228707
tert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate
CID 22664672
Tert-butyl n-((1r,3r)-3-aminocyclopentyl)carbamate
CID 51776938
tert-butyl N-(4-isocyanobutyl)carbamate
CID 55265307
tert-butyl N-(1-aminobutan-2-yl)carbamate
CID 14769741

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(methylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(methylamino)cyclobutyl]carbamate (CID 80559104) is tert-butyl N-[3-(methylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(methylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(methylamino)cyclobutyl]carbamate is CNC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(methylamino)cyclobutyl]carbamate?
The InChIKey is MCNDOUJOQHVZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/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).
What are the key properties of tert-butyl N-[3-(methylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(methylamino)cyclobutyl]carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.26, 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 is sourced from PubChem (CID 80559104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).