tert-butyl N-butyl-N-methylcarbamate

C10H21NO2 — CID 18005800

IUPACtert-butyl N-butyl-N-methylcarbamate
SMILESCCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-6-7-8-11(5)9(12)13-10(2,3)4/h6-8H2,1-5H3
InChIKeyCWLSNKCMKWFVHV-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl N-butyl-N-methylcarbamate

tert-butyl N-butyl-N-methylcarbamate (PubChem CID 18005800) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is tert-butyl N-butyl-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-butyl-N-methylcarbamate
PubChem CID18005800
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nametert-butyl N-butyl-N-methylcarbamate
SMILESCCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-6-7-8-11(5)9(12)13-10(2,3)4/h6-8H2,1-5H3
InChIKeyCWLSNKCMKWFVHV-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-Boc-3-fluoro-3-methylazetidine
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N-(4-Aminobutyl)-N-methyl carbamic acid tert-butyl ester
CID 2756377
tert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate
CID 14185780
tert-butyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate
CID 14799455
tert-Butyl (3S)-3-fluoropyrrolidine-1-carboxylate
CID 18453464
tert-butyl N-(2-cyanoethyl)-N-methylcarbamate
CID 20155843
N-Boc-N-methyl-4-amino-2-butanone
CID 23589007
tert-Butyl 3-fluoropyrrolidine-1-carboxylate
CID 25000885

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butyl-N-methylcarbamate?
The IUPAC name of tert-butyl N-butyl-N-methylcarbamate (CID 18005800) is tert-butyl N-butyl-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-butyl-N-methylcarbamate?
The canonical SMILES for tert-butyl N-butyl-N-methylcarbamate is CCCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-butyl-N-methylcarbamate?
The InChIKey is CWLSNKCMKWFVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-7-8-11(5)9(12)13-10(2,3)4/h6-8H2,1-5H3.
What are the key properties of tert-butyl N-butyl-N-methylcarbamate?
tert-butyl N-butyl-N-methylcarbamate has a molecular weight of 187.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butyl-N-methylcarbamate is sourced from PubChem (CID 18005800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).