tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane

C17H39NO2 — CID 163221568

IUPACtert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
SMILESCC(C)CCN(C)C(=O)OC(C)(C)C.CCC.CCC
InChIInChI=1S/C11H23NO2.2C3H8/c1-9(2)7-8-12(6)10(13)14-11(3,4)5;2*1-3-2/h9H,7-8H2,1-6H3;2*3H2,1-2H3
InChIKeyFAPOWBAYBLWEER-UHFFFAOYSA-N
MW289.50 g/mol
LogP5.73
Rot. Bonds3

About tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane

tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane (PubChem CID 163221568) has the molecular formula C17H39NO2 and a molecular weight of 289.50 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
PubChem CID163221568
Molecular FormulaC17H39NO2
Molecular Weight289.50 g/mol
Exact Mass289.30
IUPAC Nametert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
SMILESCC(C)CCN(C)C(=O)OC(C)(C)C.CCC.CCC
InChIInChI=1S/C11H23NO2.2C3H8/c1-9(2)7-8-12(6)10(13)14-11(3,4)5;2*1-3-2/h9H,7-8H2,1-6H3;2*3H2,1-2H3
InChIKeyFAPOWBAYBLWEER-UHFFFAOYSA-N
XLogP5.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.50
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(3-hydroxy-5-methylhexyl)-N-methylcarbamate
CID 91303071
tert-butyl N-methyl-N-(3-propylhexyl)carbamate
CID 139566665
tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate
CID 103780595
(2S)-2-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
CID 87572620
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate
CID 155943485
ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
CID 168940776
tert-butyl N-(2-bromopropyl)-N-methylcarbamate
CID 114293384
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
CID 115716335
tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate
CID 117003967
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane?
The IUPAC name of tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane (CID 163221568) is tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane.
What is the SMILES notation for tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane?
The canonical SMILES for tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane is CC(C)CCN(C)C(=O)OC(C)(C)C.CCC.CCC.
What is the InChIKey of tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane?
The InChIKey is FAPOWBAYBLWEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.2C3H8/c1-9(2)7-8-12(6)10(13)14-11(3,4)5;2*1-3-2/h9H,7-8H2,1-6H3;2*3H2,1-2H3.
What are the key properties of tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane?
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane has a molecular weight of 289.50 g/mol, XLogP of 5.73, 3 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-(3-methylbutyl)carbamate;propane is sourced from PubChem (CID 163221568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).