tert-butyl N-methyl-N-propylcarbamate

C9H19NO2 — CID 14271612

IUPACtert-butyl N-methyl-N-propylcarbamate
SMILESCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-6-7-10(5)8(11)12-9(2,3)4/h6-7H2,1-5H3
InChIKeyRKBLAXHVQYRXFV-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.26
Rot. Bonds2

About tert-butyl N-methyl-N-propylcarbamate

tert-butyl N-methyl-N-propylcarbamate (PubChem CID 14271612) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is tert-butyl N-methyl-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-propylcarbamate
PubChem CID14271612
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nametert-butyl N-methyl-N-propylcarbamate
SMILESCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-6-7-10(5)8(11)12-9(2,3)4/h6-7H2,1-5H3
InChIKeyRKBLAXHVQYRXFV-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Boc-pyrrolidine
CID 643455
tert-Butyl (3-chloropropyl)methylcarbamate
CID 14194551
tert-butyl N-(3-aminopropyl)-N-methylcarbamate
CID 2756543
1-(tert-Butoxycarbonyl)azetidine
CID 11205910
tert-butyl N-methyl-N-(prop-2-yn-1-yl)carbamate
CID 18366137
1,1-Dimethylethyl N-methyl-N-(2-oxopropyl)carbamate
CID 12121517
1-Boc-3-fluoro-3-methylazetidine
CID 55271007
N-(4-Aminobutyl)-N-methyl carbamic acid tert-butyl ester
CID 2756377
tert-butyl N-(cyanomethyl)-N-methylcarbamate
CID 10654719
tert-butyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate
CID 14799455
tert-butyl N-(2-cyanoethyl)-N-methylcarbamate
CID 20155843
N-Boc-N-methyl-4-amino-2-butanone
CID 23589007

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-propylcarbamate?
The IUPAC name of tert-butyl N-methyl-N-propylcarbamate (CID 14271612) is tert-butyl N-methyl-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-methyl-N-propylcarbamate?
The canonical SMILES for tert-butyl N-methyl-N-propylcarbamate is CCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-propylcarbamate?
The InChIKey is RKBLAXHVQYRXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6-7-10(5)8(11)12-9(2,3)4/h6-7H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-propylcarbamate?
tert-butyl N-methyl-N-propylcarbamate has a molecular weight of 173.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-propylcarbamate is sourced from PubChem (CID 14271612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).