tert-butyl N-[[4-methyl-4-(methylcarbamoyl)cyclohexen-1-yl]methyl]carbamate

C15H26N2O3 — CID 70852257

IUPACtert-butyl N-[[4-methyl-4-(methylcarbamoyl)cyclohexen-1-yl]methyl]carbamate
SMILESCNC(=O)C1(C)CC=C(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26N2O3/c1-14(2,3)20-13(19)17-10-11-6-8-15(4,9-7-11)12(18)16-5/h6H,7-10H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyZAVJJQLUBCRPTE-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.37
Rot. Bonds3

About tert-butyl N-[[4-methyl-4-(methylcarbamoyl)cyclohexen-1-yl]methyl]carbamate

tert-butyl N-[[4-methyl-4-(methylcarbamoyl)cyclohexen-1-yl]methyl]carbamate (PubChem CID 70852257) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl N-[[4-methyl-4-(methylcarbamoyl)cyclohexen-1-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-methyl-4-(methylcarbamoyl)cyclohexen-1-yl]methyl]carbamate
PubChem CID70852257
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl N-[[4-methyl-4-(methylcarbamoyl)cyclohexen-1-yl]methyl]carbamate
SMILESCNC(=O)C1(C)CC=C(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26N2O3/c1-14(2,3)20-13(19)17-10-11-6-8-15(4,9-7-11)12(18)16-5/h6H,7-10H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyZAVJJQLUBCRPTE-UHFFFAOYSA-N
XLogP2.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(4-carbamoyl-4-methylcyclohexen-1-yl)methyl]carbamate
CID 70318963
tert-butyl N-[(4-cyano-4-methylcyclohexen-1-yl)methyl]carbamate
CID 70947833
tert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate
CID 56636050
tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate
CID 67390801
tert-butyl N-[2-[2-(cyclohexen-1-yl)ethylamino]ethyl]carbamate
CID 112688701
tert-butyl N-[[4-(bicyclo[2.2.2]octane-1-carbonylamino)phenyl]methyl]carbamate
CID 175843419
tert-butyl N-[[4-[(2S)-2-amino-3-[(2R)-2-methyloxiran-2-yl]-3-oxopropyl]phenyl]methyl]carbamate
CID 71562241
tert-butyl N-[2-[(7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidin-2-yl)amino]ethyl]carbamate
CID 103278718
tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate
CID 156874052
tert-butyl N-[[3-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 139721370
tert-butyl N-[2-hydroxy-2-(1-methylcyclopropyl)propyl]carbamate
CID 167734232
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-methyl-4-(methylcarbamoyl)cyclohexen-1-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-methyl-4-(methylcarbamoyl)cyclohexen-1-yl]methyl]carbamate (CID 70852257) is tert-butyl N-[[4-methyl-4-(methylcarbamoyl)cyclohexen-1-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-methyl-4-(methylcarbamoyl)cyclohexen-1-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-methyl-4-(methylcarbamoyl)cyclohexen-1-yl]methyl]carbamate is CNC(=O)C1(C)CC=C(CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[[4-methyl-4-(methylcarbamoyl)cyclohexen-1-yl]methyl]carbamate?
The InChIKey is ZAVJJQLUBCRPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(2,3)20-13(19)17-10-11-6-8-15(4,9-7-11)12(18)16-5/h6H,7-10H2,1-5H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[[4-methyl-4-(methylcarbamoyl)cyclohexen-1-yl]methyl]carbamate?
tert-butyl N-[[4-methyl-4-(methylcarbamoyl)cyclohexen-1-yl]methyl]carbamate has a molecular weight of 282.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-methyl-4-(methylcarbamoyl)cyclohexen-1-yl]methyl]carbamate is sourced from PubChem (CID 70852257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).