tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate

C15H30N2O3 — CID 63787814

IUPACtert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate
SMILESCC(C)CC(CNC(=O)OC(C)(C)C)N1CCOCC1
InChIInChI=1S/C15H30N2O3/c1-12(2)10-13(17-6-8-19-9-7-17)11-16-14(18)20-15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,18)
InChIKeyLGEYXMYXGURQQI-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.26
Rot. Bonds5

About tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate

tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate (PubChem CID 63787814) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate
PubChem CID63787814
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate
SMILESCC(C)CC(CNC(=O)OC(C)(C)C)N1CCOCC1
InChIInChI=1S/C15H30N2O3/c1-12(2)10-13(17-6-8-19-9-7-17)11-16-14(18)20-15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,18)
InChIKeyLGEYXMYXGURQQI-UHFFFAOYSA-N
XLogP2.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate
CID 102729414
2,2,2-trifluoro-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 62491437
N-(4-methyl-2-morpholin-4-ylpentyl)morpholine-4-carboxamide
CID 110403300
tert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate
CID 113231791
(2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
CID 78968953
tert-butyl N-(2-cyano-2-morpholin-4-ylethyl)carbamate
CID 102730821
2,2-dimethyl-N-[2-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111936040
2-(4-chlorophenyl)-2-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
CID 55871235
2-(cyclopropylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 61249539
1-(aminomethyl)-N-(4-methyl-2-morpholin-4-ylpentyl)cyclopropane-1-carboxamide
CID 115453115
2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide
CID 62477972
2-methyl-N-[2-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]propanamide
CID 111928490

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate?
The IUPAC name of tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate (CID 63787814) is tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate?
The canonical SMILES for tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate is CC(C)CC(CNC(=O)OC(C)(C)C)N1CCOCC1.
What is the InChIKey of tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate?
The InChIKey is LGEYXMYXGURQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(2)10-13(17-6-8-19-9-7-17)11-16-14(18)20-15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate?
tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate is sourced from PubChem (CID 63787814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).