tert-butyl N-methyl-N-(3-propylhexyl)carbamate

C15H31NO2 — CID 139566665

IUPACtert-butyl N-methyl-N-(3-propylhexyl)carbamate
SMILESCCCC(CCC)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H31NO2/c1-7-9-13(10-8-2)11-12-16(6)14(17)18-15(3,4)5/h13H,7-12H2,1-6H3
InChIKeyOEQCZIXGFZFQHW-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.46
Rot. Bonds7

About tert-butyl N-methyl-N-(3-propylhexyl)carbamate

tert-butyl N-methyl-N-(3-propylhexyl)carbamate (PubChem CID 139566665) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(3-propylhexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(3-propylhexyl)carbamate
PubChem CID139566665
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Nametert-butyl N-methyl-N-(3-propylhexyl)carbamate
SMILESCCCC(CCC)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H31NO2/c1-7-9-13(10-8-2)11-12-16(6)14(17)18-15(3,4)5/h13H,7-12H2,1-6H3
InChIKeyOEQCZIXGFZFQHW-UHFFFAOYSA-N
XLogP4.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate
CID 155943485
(2S)-2-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
CID 87572620
tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate
CID 103781231
tert-butyl N-(3-hydroxy-5-methylhexyl)-N-methylcarbamate
CID 91303071
tert-butyl N-methyl-N-[(2S)-pentan-2-yl]carbamate
CID 141142694
tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate
CID 89066320
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate
CID 23061773
tert-butyl N-methyl-N-[3-(2-oxoethoxy)pentyl]carbamate
CID 177056191
potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 140930688

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(3-propylhexyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(3-propylhexyl)carbamate (CID 139566665) is tert-butyl N-methyl-N-(3-propylhexyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(3-propylhexyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(3-propylhexyl)carbamate is CCCC(CCC)CCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(3-propylhexyl)carbamate?
The InChIKey is OEQCZIXGFZFQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-7-9-13(10-8-2)11-12-16(6)14(17)18-15(3,4)5/h13H,7-12H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-(3-propylhexyl)carbamate?
tert-butyl N-methyl-N-(3-propylhexyl)carbamate has a molecular weight of 257.42 g/mol, XLogP of 4.46, 7 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-propylhexyl)carbamate is sourced from PubChem (CID 139566665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).