tert-butyl N-[3-[2-hydroxyethyl(methyl)amino]propyl]-N-methylcarbamate

C12H26N2O3 — CID 50994374

IUPACtert-butyl N-[3-[2-hydroxyethyl(methyl)amino]propyl]-N-methylcarbamate
SMILESCN(CCO)CCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-12(2,3)17-11(16)14(5)8-6-7-13(4)9-10-15/h15H,6-10H2,1-5H3
InChIKeyQSOJRWVFYQZTCY-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.17
Rot. Bonds6

About tert-butyl N-[3-[2-hydroxyethyl(methyl)amino]propyl]-N-methylcarbamate

tert-butyl N-[3-[2-hydroxyethyl(methyl)amino]propyl]-N-methylcarbamate (PubChem CID 50994374) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is tert-butyl N-[3-[2-hydroxyethyl(methyl)amino]propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-hydroxyethyl(methyl)amino]propyl]-N-methylcarbamate
PubChem CID50994374
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Nametert-butyl N-[3-[2-hydroxyethyl(methyl)amino]propyl]-N-methylcarbamate
SMILESCN(CCO)CCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-12(2,3)17-11(16)14(5)8-6-7-13(4)9-10-15/h15H,6-10H2,1-5H3
InChIKeyQSOJRWVFYQZTCY-UHFFFAOYSA-N
XLogP1.17
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(tert-Butoxycarbonyl)-N-methyl-2-aminoethanol
CID 545700
Tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 735736
N-Boc-diethanolamine
CID 4360601
tert-Butyl (3-hydroxypropyl)methylcarbamate
CID 10375241
Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate
CID 2735672
tert-butyl N-(2-hydroxypropyl)-N-methylcarbamate
CID 19369009
tert-Butyl 4-(2-hydroxypropyl)piperazine-1-carboxylate
CID 52984109
[3-(2-Hydroxy-ethylamino)-propyl]-carbamic acid tert-butyl ester
CID 59224684
tert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate
CID 84683868
tert-butyl N-[(2S)-2-hydroxypropyl]-N-methylcarbamate
CID 94403789
1,4-Di-tert-butyl 6-hydroxy-1,4-diazepane-1,4-dicarboxylate
CID 118798500
tert-butyl N-ethyl-N-(1-hydroxypropan-2-yl)carbamate
CID 123715401

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-hydroxyethyl(methyl)amino]propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[2-hydroxyethyl(methyl)amino]propyl]-N-methylcarbamate (CID 50994374) is tert-butyl N-[3-[2-hydroxyethyl(methyl)amino]propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[2-hydroxyethyl(methyl)amino]propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[2-hydroxyethyl(methyl)amino]propyl]-N-methylcarbamate is CN(CCO)CCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[2-hydroxyethyl(methyl)amino]propyl]-N-methylcarbamate?
The InChIKey is QSOJRWVFYQZTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-12(2,3)17-11(16)14(5)8-6-7-13(4)9-10-15/h15H,6-10H2,1-5H3.
What are the key properties of tert-butyl N-[3-[2-hydroxyethyl(methyl)amino]propyl]-N-methylcarbamate?
tert-butyl N-[3-[2-hydroxyethyl(methyl)amino]propyl]-N-methylcarbamate has a molecular weight of 246.35 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-hydroxyethyl(methyl)amino]propyl]-N-methylcarbamate is sourced from PubChem (CID 50994374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).