tert-butyl N-[3-[(2-methyl-2-morpholin-4-ylpropyl)amino]propyl]carbamate

C16H33N3O3 — CID 103821631

IUPACtert-butyl N-[3-[(2-methyl-2-morpholin-4-ylpropyl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNCC(C)(C)N1CCOCC1
InChIInChI=1S/C16H33N3O3/c1-15(2,3)22-14(20)18-8-6-7-17-13-16(4,5)19-9-11-21-12-10-19/h17H,6-13H2,1-5H3,(H,18,20)
InChIKeyZIEIGBXXIFPGAI-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.60
Rot. Bonds7

About tert-butyl N-[3-[(2-methyl-2-morpholin-4-ylpropyl)amino]propyl]carbamate

tert-butyl N-[3-[(2-methyl-2-morpholin-4-ylpropyl)amino]propyl]carbamate (PubChem CID 103821631) has the molecular formula C16H33N3O3 and a molecular weight of 315.46 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-methyl-2-morpholin-4-ylpropyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-methyl-2-morpholin-4-ylpropyl)amino]propyl]carbamate
PubChem CID103821631
Molecular FormulaC16H33N3O3
Molecular Weight315.46 g/mol
Exact Mass315.25
IUPAC Nametert-butyl N-[3-[(2-methyl-2-morpholin-4-ylpropyl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNCC(C)(C)N1CCOCC1
InChIInChI=1S/C16H33N3O3/c1-15(2,3)22-14(20)18-8-6-7-17-13-16(4,5)19-9-11-21-12-10-19/h17H,6-13H2,1-5H3,(H,18,20)
InChIKeyZIEIGBXXIFPGAI-UHFFFAOYSA-N
XLogP1.60
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[2-(3-morpholin-4-ylpropylcarbamothioylamino)ethyl]carbamate
CID 84550530
tert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate
CID 17476807
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 55452043
2-(ethylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 60685788
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid
CID 5074020
tert-butyl N-[3-[3-(tert-butylamino)propylamino]propyl]carbamate
CID 139566779
2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600
CID 58849446
CID 58849446
tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
CID 68676140

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-methyl-2-morpholin-4-ylpropyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-methyl-2-morpholin-4-ylpropyl)amino]propyl]carbamate (CID 103821631) is tert-butyl N-[3-[(2-methyl-2-morpholin-4-ylpropyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-methyl-2-morpholin-4-ylpropyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-methyl-2-morpholin-4-ylpropyl)amino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNCC(C)(C)N1CCOCC1.
What is the InChIKey of tert-butyl N-[3-[(2-methyl-2-morpholin-4-ylpropyl)amino]propyl]carbamate?
The InChIKey is ZIEIGBXXIFPGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O3/c1-15(2,3)22-14(20)18-8-6-7-17-13-16(4,5)19-9-11-21-12-10-19/h17H,6-13H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[3-[(2-methyl-2-morpholin-4-ylpropyl)amino]propyl]carbamate?
tert-butyl N-[3-[(2-methyl-2-morpholin-4-ylpropyl)amino]propyl]carbamate has a molecular weight of 315.46 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2-methyl-2-morpholin-4-ylpropyl)amino]propyl]carbamate is sourced from PubChem (CID 103821631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).