tert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate

C15H31N3O3 — CID 102729629

IUPACtert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(CN)N1CCOC(C)(C)C1
InChIInChI=1S/C15H31N3O3/c1-14(2,3)21-13(19)17-7-6-12(10-16)18-8-9-20-15(4,5)11-18/h12H,6-11,16H2,1-5H3,(H,17,19)
InChIKeyRQHVEIAUVMWHRU-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.34
Rot. Bonds5

About tert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate

tert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate (PubChem CID 102729629) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate
PubChem CID102729629
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Nametert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(CN)N1CCOC(C)(C)C1
InChIInChI=1S/C15H31N3O3/c1-14(2,3)21-13(19)17-7-6-12(10-16)18-8-9-20-15(4,5)11-18/h12H,6-11,16H2,1-5H3,(H,17,19)
InChIKeyRQHVEIAUVMWHRU-UHFFFAOYSA-N
XLogP1.34
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate
CID 102729464
tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate
CID 102729414
tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate
CID 102729770
tert-butyl N-[4-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butyl]carbamate
CID 102730293
tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate
CID 102730052
tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate
CID 102729511
2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine
CID 43592633
tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate
CID 102730540
tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate
CID 102729505
tert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate
CID 102730533
tert-butyl N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-aminobutyl]carbamate
CID 102730168
tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate
CID 102730438

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate (CID 102729629) is tert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate is CC(C)(C)OC(=O)NCCC(CN)N1CCOC(C)(C)C1.
What is the InChIKey of tert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate?
The InChIKey is RQHVEIAUVMWHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-14(2,3)21-13(19)17-7-6-12(10-16)18-8-9-20-15(4,5)11-18/h12H,6-11,16H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate?
tert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate has a molecular weight of 301.43 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate is sourced from PubChem (CID 102729629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).