tert-butyl N-butan-2-yl-N-methylcarbamate

C10H21NO2 — CID 14663480

IUPACtert-butyl N-butan-2-yl-N-methylcarbamate
SMILESCCC(C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-7-8(2)11(6)9(12)13-10(3,4)5/h8H,7H2,1-6H3
InChIKeyMFQPQKQYJVDOMJ-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.65
Rot. Bonds2

About tert-butyl N-butan-2-yl-N-methylcarbamate

tert-butyl N-butan-2-yl-N-methylcarbamate (PubChem CID 14663480) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is tert-butyl N-butan-2-yl-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-butan-2-yl-N-methylcarbamate
PubChem CID14663480
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nametert-butyl N-butan-2-yl-N-methylcarbamate
SMILESCCC(C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-7-8(2)11(6)9(12)13-10(3,4)5/h8H,7H2,1-6H3
InChIKeyMFQPQKQYJVDOMJ-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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tert-butyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate
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tert-butyl N-(2-cyanoethyl)-N-methylcarbamate
CID 20155843
tert-butyl N-cyclopentyl-N-methylcarbamate
CID 55282488
tert-Butyl cyclopropyl(prop-2-yn-1-yl)carbamate
CID 71427234
tert-butyl N-(but-3-yn-2-yl)-N-methylcarbamate
CID 87498437
(R)-tert-butyl 2-methylaziridine-1-carboxylate
CID 11008183
tert-butyl N-methyl-N-(2-methylpropyl)carbamate
CID 11095337
tert-Butyl diethylcarbamate
CID 13314074
tert-Butyl ethyl(methyl)carbamate
CID 14271611

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butan-2-yl-N-methylcarbamate?
The IUPAC name of tert-butyl N-butan-2-yl-N-methylcarbamate (CID 14663480) is tert-butyl N-butan-2-yl-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-butan-2-yl-N-methylcarbamate?
The canonical SMILES for tert-butyl N-butan-2-yl-N-methylcarbamate is CCC(C)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-butan-2-yl-N-methylcarbamate?
The InChIKey is MFQPQKQYJVDOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7-8(2)11(6)9(12)13-10(3,4)5/h8H,7H2,1-6H3.
What are the key properties of tert-butyl N-butan-2-yl-N-methylcarbamate?
tert-butyl N-butan-2-yl-N-methylcarbamate has a molecular weight of 187.28 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butan-2-yl-N-methylcarbamate is sourced from PubChem (CID 14663480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).