tert-butyl N-methyl-N-[2-[methyl-[(2-methyloxiran-2-yl)methyl]amino]ethyl]carbamate

C13H26N2O3 — CID 87851835

IUPACtert-butyl N-methyl-N-[2-[methyl-[(2-methyloxiran-2-yl)methyl]amino]ethyl]carbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)CC1(C)CO1
InChIInChI=1S/C13H26N2O3/c1-12(2,3)18-11(16)15(6)8-7-14(5)9-13(4)10-17-13/h7-10H2,1-6H3
InChIKeyLIRGYZRSDTYDTJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.57
Rot. Bonds5

About tert-butyl N-methyl-N-[2-[methyl-[(2-methyloxiran-2-yl)methyl]amino]ethyl]carbamate

tert-butyl N-methyl-N-[2-[methyl-[(2-methyloxiran-2-yl)methyl]amino]ethyl]carbamate (PubChem CID 87851835) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[methyl-[(2-methyloxiran-2-yl)methyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[methyl-[(2-methyloxiran-2-yl)methyl]amino]ethyl]carbamate
PubChem CID87851835
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-methyl-N-[2-[methyl-[(2-methyloxiran-2-yl)methyl]amino]ethyl]carbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)CC1(C)CO1
InChIInChI=1S/C13H26N2O3/c1-12(2,3)18-11(16)15(6)8-7-14(5)9-13(4)10-17-13/h7-10H2,1-6H3
InChIKeyLIRGYZRSDTYDTJ-UHFFFAOYSA-N
XLogP1.57
TPSA45.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[methyl-[(2-methyloxiran-2-yl)methyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[methyl-[(2-methyloxiran-2-yl)methyl]amino]ethyl]carbamate (CID 87851835) is tert-butyl N-methyl-N-[2-[methyl-[(2-methyloxiran-2-yl)methyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[methyl-[(2-methyloxiran-2-yl)methyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[methyl-[(2-methyloxiran-2-yl)methyl]amino]ethyl]carbamate is CN(CCN(C)C(=O)OC(C)(C)C)CC1(C)CO1.
What is the InChIKey of tert-butyl N-methyl-N-[2-[methyl-[(2-methyloxiran-2-yl)methyl]amino]ethyl]carbamate?
The InChIKey is LIRGYZRSDTYDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(2,3)18-11(16)15(6)8-7-14(5)9-13(4)10-17-13/h7-10H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[2-[methyl-[(2-methyloxiran-2-yl)methyl]amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[methyl-[(2-methyloxiran-2-yl)methyl]amino]ethyl]carbamate has a molecular weight of 258.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[methyl-[(2-methyloxiran-2-yl)methyl]amino]ethyl]carbamate is sourced from PubChem (CID 87851835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).