tert-butyl 3-(methylaminomethyl)azetidine-1-carboxylate

C10H20N2O2 — CID 46840011

IUPACtert-butyl 3-(methylaminomethyl)azetidine-1-carboxylate
SMILESCNCC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)5-11-4/h8,11H,5-7H2,1-4H3
InChIKeyLNDGYTKISRFVOI-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.07
Rot. Bonds2

About tert-butyl 3-(methylaminomethyl)azetidine-1-carboxylate

tert-butyl 3-(methylaminomethyl)azetidine-1-carboxylate (PubChem CID 46840011) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl 3-(methylaminomethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(methylaminomethyl)azetidine-1-carboxylate
PubChem CID46840011
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl 3-(methylaminomethyl)azetidine-1-carboxylate
SMILESCNCC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)5-11-4/h8,11H,5-7H2,1-4H3
InChIKeyLNDGYTKISRFVOI-UHFFFAOYSA-N
XLogP1.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl (3-aminopropyl)carbamate
CID 2735700
tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate
CID 389615
Tert-butyl 3-aminoazetidine-1-carboxylate
CID 1516507
tert-butyl N-(3-aminopropyl)-N-methylcarbamate
CID 2756543
1,1-Dimethylethyl N-(3-((3-aminopropyl)amino)propyl)carbamate
CID 2786632
2-Boc-2,6-diazaspiro(3.3)heptane
CID 40151981
tert-Butyl 3-(methylamino)azetidine-1-carboxylate
CID 23153172
N-(tert-Butoxycarbonyl)-2-methyl-1,3-diaminopropane
CID 44629801
tert-butyl N-(3-(methylamino)propyl)carbamate
CID 11309987
N-(4-Aminobutyl)-N-methyl carbamic acid tert-butyl ester
CID 2756377
1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate
CID 2757233
Tert-butyl 3-(aminomethyl)azetidine-1-carboxylate
CID 10679125

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(methylaminomethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(methylaminomethyl)azetidine-1-carboxylate (CID 46840011) is tert-butyl 3-(methylaminomethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(methylaminomethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(methylaminomethyl)azetidine-1-carboxylate is CNCC1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(methylaminomethyl)azetidine-1-carboxylate?
The InChIKey is LNDGYTKISRFVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)5-11-4/h8,11H,5-7H2,1-4H3.
What are the key properties of tert-butyl 3-(methylaminomethyl)azetidine-1-carboxylate?
tert-butyl 3-(methylaminomethyl)azetidine-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(methylaminomethyl)azetidine-1-carboxylate is sourced from PubChem (CID 46840011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).