tert-butyl N-propylcarbamate

C8H17NO2 — CID 14221814

IUPACtert-butyl N-propylcarbamate
SMILESCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-5-6-9-7(10)11-8(2,3)4/h5-6H2,1-4H3,(H,9,10)
InChIKeyVBUWHAJDOUIJMV-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.92
Rot. Bonds2

About tert-butyl N-propylcarbamate

tert-butyl N-propylcarbamate (PubChem CID 14221814) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is tert-butyl N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-propylcarbamate
PubChem CID14221814
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nametert-butyl N-propylcarbamate
SMILESCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-5-6-9-7(10)11-8(2,3)4/h5-6H2,1-4H3,(H,9,10)
InChIKeyVBUWHAJDOUIJMV-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(4-aminobutyl)carbamate
CID 4351
tert-butyl N-(2-oxopropyl)carbamate
CID 357955
tert-Butyl (3-((4-((3-aminopropyl)amino)butyl)amino)propyl)carbamate
CID 9882867
N-(tert-Butoxycarbonyl)-1,5-diaminopentane
CID 4352
Tert-butyl N-ethylcarbamate
CID 11198486
N-BOC-ethylenediamine
CID 187201
tert-butyl N-(2-iodoethyl)carbamate
CID 641024
N-BOC-1,6-diaminohexane
CID 2733170
tert-Butyl (3-aminopropyl)carbamate
CID 2735700
tert-Butyl (6-aminohexyl)carbamate monohydrochloride
CID 3017638
tert-butyl N-(3-hydroxypropyl)carbamate
CID 3838134
Tert-butyl N-butylcarbamate
CID 4271883

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-propylcarbamate?
The IUPAC name of tert-butyl N-propylcarbamate (CID 14221814) is tert-butyl N-propylcarbamate.
What is the SMILES notation for tert-butyl N-propylcarbamate?
The canonical SMILES for tert-butyl N-propylcarbamate is CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-propylcarbamate?
The InChIKey is VBUWHAJDOUIJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-6-9-7(10)11-8(2,3)4/h5-6H2,1-4H3,(H,9,10).
What are the key properties of tert-butyl N-propylcarbamate?
tert-butyl N-propylcarbamate has a molecular weight of 159.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-propylcarbamate is sourced from PubChem (CID 14221814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).