tert-butyl 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylate

C13H26N2O3 — CID 131997109

IUPACtert-butyl 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(C)(CCCN)C1
InChIInChI=1S/C13H26N2O3/c1-12(2,3)18-11(16)15-8-9-17-13(4,10-15)6-5-7-14/h5-10,14H2,1-4H3
InChIKeyJXWKZPIQWPPACU-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.75
Rot. Bonds3

About tert-butyl 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylate

tert-butyl 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylate (PubChem CID 131997109) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylate
PubChem CID131997109
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(C)(CCCN)C1
InChIInChI=1S/C13H26N2O3/c1-12(2,3)18-11(16)15-8-9-17-13(4,10-15)6-5-7-14/h5-10,14H2,1-4H3
InChIKeyJXWKZPIQWPPACU-UHFFFAOYSA-N
XLogP1.75
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate
CID 126738763
4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate
CID 131997082
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873
tert-butyl (6S)-6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CID 125117343
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504
tert-butyl 2-(2-ethoxy-2-oxoethyl)-2-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate
CID 177330033
tert-butyl (6R)-11-amino-1-oxa-4-azaspiro[5.5]undecane-4-carboxylate
CID 155888677
tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 170651649
2-[(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-(trifluoromethyl)morpholin-2-yl]acetic acid
CID 129451522
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
tert-butyl 3-[(3-aminopropylamino)methyl]-3-methylpiperidine-1-carboxylate
CID 107254670
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylate (CID 131997109) is tert-butyl 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(C)(CCCN)C1.
What is the InChIKey of tert-butyl 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylate?
The InChIKey is JXWKZPIQWPPACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(2,3)18-11(16)15-8-9-17-13(4,10-15)6-5-7-14/h5-10,14H2,1-4H3.
What are the key properties of tert-butyl 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylate?
tert-butyl 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-aminopropyl)-2-methylmorpholine-4-carboxylate is sourced from PubChem (CID 131997109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).