tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate

C10H20N2O2 — CID 57415859

IUPACtert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate
SMILESCC1(CN)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)12-6-10(4,5-11)7-12/h5-7,11H2,1-4H3
InChIKeyNUSZXESXGDKVCH-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.20
Rot. Bonds1

About tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate

tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate (PubChem CID 57415859) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate
PubChem CID57415859
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate
SMILESCC1(CN)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)12-6-10(4,5-11)7-12/h5-7,11H2,1-4H3
InChIKeyNUSZXESXGDKVCH-UHFFFAOYSA-N
XLogP1.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-Boc-2,6-diazaspiro(3.3)heptane
CID 40151981
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
Tert-butyl 3-(aminomethyl)azetidine-1-carboxylate
CID 10679125
tert-butyl N-(azetidin-3-ylmethyl)carbamate
CID 15346872
tert-butyl N-methyl-N-(3-(methylamino)propyl)carbamate
CID 17868293
tert-Butyl 3-aminopropyl(ethyl)carbamate
CID 32639917
3-(N-Boc-methylaminomethyl)azetidine
CID 37818419
tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride
CID 44118838
tert-Butyl 3-(2-aminoethyl)azetidine-1-carboxylate
CID 44630603

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate (CID 57415859) is tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate is CC1(CN)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate?
The InChIKey is NUSZXESXGDKVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)12-6-10(4,5-11)7-12/h5-7,11H2,1-4H3.
What are the key properties of tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate?
tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate is sourced from PubChem (CID 57415859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).