tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate

C15H29NO2 — CID 91223647

IUPACtert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate
SMILESCN(CCCC1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-15(2,3)18-14(17)16(4)12-8-11-13-9-6-5-7-10-13/h13H,5-12H2,1-4H3
InChIKeyKLLYRZUGFOMMDY-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.21
Rot. Bonds4

About tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate

tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate (PubChem CID 91223647) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate
PubChem CID91223647
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nametert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate
SMILESCN(CCCC1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-15(2,3)18-14(17)16(4)12-8-11-13-9-6-5-7-10-13/h13H,5-12H2,1-4H3
InChIKeyKLLYRZUGFOMMDY-UHFFFAOYSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
CID 107245079
tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187181
(5S)-2,2-dimethyl-5-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]pyrrolidine-1-carboxylic acid
CID 139416419
tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate
CID 165466706
tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate
CID 53419825
tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate
CID 103729545
5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid
CID 67699840
tert-butyl N-[3-[3-(hydroxymethyl)cyclobutyl]oxypropyl]-N-methylcarbamate
CID 167375585
2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate
CID 174476583
tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 163409952
tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
CID 159187536
tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate
CID 19757668

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate (CID 91223647) is tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate is CN(CCCC1CCCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate?
The InChIKey is KLLYRZUGFOMMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-15(2,3)18-14(17)16(4)12-8-11-13-9-6-5-7-10-13/h13H,5-12H2,1-4H3.
What are the key properties of tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate?
tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate has a molecular weight of 255.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate is sourced from PubChem (CID 91223647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).