tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate

C12H25N3O3 — CID 102729414

IUPACtert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(CN)N1CCOCC1
InChIInChI=1S/C12H25N3O3/c1-12(2,3)18-11(16)14-9-10(8-13)15-4-6-17-7-5-15/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyZOMADYSKTQQRPJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.17
Rot. Bonds4

About tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate

tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate (PubChem CID 102729414) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate
PubChem CID102729414
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Nametert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(CN)N1CCOCC1
InChIInChI=1S/C12H25N3O3/c1-12(2,3)18-11(16)14-9-10(8-13)15-4-6-17-7-5-15/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyZOMADYSKTQQRPJ-UHFFFAOYSA-N
XLogP0.17
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate (CID 102729414) is tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate is CC(C)(C)OC(=O)NCC(CN)N1CCOCC1.
What is the InChIKey of tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate?
The InChIKey is ZOMADYSKTQQRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-12(2,3)18-11(16)14-9-10(8-13)15-4-6-17-7-5-15/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate?
tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate has a molecular weight of 259.35 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate is sourced from PubChem (CID 102729414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).