tert-butyl N-[3-(aminomethyl)oxolan-3-yl]-N-methylcarbamate

C11H22N2O3 — CID 178113575

IUPACtert-butyl N-[3-(aminomethyl)oxolan-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1(CN)CCOC1
InChIInChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13(4)11(7-12)5-6-15-8-11/h5-8,12H2,1-4H3
InChIKeyTYWRHCTXVAHSOB-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.97
Rot. Bonds2

About tert-butyl N-[3-(aminomethyl)oxolan-3-yl]-N-methylcarbamate

tert-butyl N-[3-(aminomethyl)oxolan-3-yl]-N-methylcarbamate (PubChem CID 178113575) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[3-(aminomethyl)oxolan-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(aminomethyl)oxolan-3-yl]-N-methylcarbamate
PubChem CID178113575
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[3-(aminomethyl)oxolan-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1(CN)CCOC1
InChIInChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13(4)11(7-12)5-6-15-8-11/h5-8,12H2,1-4H3
InChIKeyTYWRHCTXVAHSOB-UHFFFAOYSA-N
XLogP0.97
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(aminomethyl)oxolan-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-(aminomethyl)oxolan-3-yl]-N-methylcarbamate (CID 178113575) is tert-butyl N-[3-(aminomethyl)oxolan-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(aminomethyl)oxolan-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-(aminomethyl)oxolan-3-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1(CN)CCOC1.
What is the InChIKey of tert-butyl N-[3-(aminomethyl)oxolan-3-yl]-N-methylcarbamate?
The InChIKey is TYWRHCTXVAHSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13(4)11(7-12)5-6-15-8-11/h5-8,12H2,1-4H3.
What are the key properties of tert-butyl N-[3-(aminomethyl)oxolan-3-yl]-N-methylcarbamate?
tert-butyl N-[3-(aminomethyl)oxolan-3-yl]-N-methylcarbamate has a molecular weight of 230.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(aminomethyl)oxolan-3-yl]-N-methylcarbamate is sourced from PubChem (CID 178113575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).