tert-butyl N-(3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate

C15H23N3O2 — CID 140842146

IUPACtert-butyl N-(3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate
SMILESCC1CCC(n2ccnc2)=CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-11-5-6-12(18-8-7-16-10-18)9-13(11)17-14(19)20-15(2,3)4/h7-11,13H,5-6H2,1-4H3,(H,17,19)
InChIKeyNXSLXMZUNHACNX-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.05
Rot. Bonds2

About tert-butyl N-(3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate

tert-butyl N-(3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate (PubChem CID 140842146) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl N-(3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate
PubChem CID140842146
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametert-butyl N-(3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate
SMILESCC1CCC(n2ccnc2)=CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-11-5-6-12(18-8-7-16-10-18)9-13(11)17-14(19)20-15(2,3)4/h7-11,13H,5-6H2,1-4H3,(H,17,19)
InChIKeyNXSLXMZUNHACNX-UHFFFAOYSA-N
XLogP3.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 51079756
tert-butyl N-[cyclohexyl(imidazol-1-yl)methyl]carbamate
CID 135041273
tert-butyl 4-[(Z)-2-(1-methylimidazol-2-yl)ethenyl]piperidine-1-carboxylate
CID 66853066
Tert-butyl 4-[2-(1-methylimidazol-2-yl)ethenyl]piperidine-1-carboxylate
CID 66853067
tert-butyl 4-imidazol-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 70078381
[6-[formyl(octadecyl)amino]cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate
CID 88145631
(3-Imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamic acid
CID 117761747
(3-Imidazol-1-ylcyclohex-3-en-1-yl)carbamic acid
CID 117762000
(3-Imidazol-1-ylcyclohex-2-en-1-yl)carbamic acid
CID 117762490
(6-Hydroxy-3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamic acid
CID 117764371
3-Imidazol-1-yl-6-methylcyclohex-2-en-1-amine
CID 117764545
tert-Butyl-3-(1H-imidazol-1-yl)cyclohexylcarbamate
CID 121317505

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate?
The IUPAC name of tert-butyl N-(3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate (CID 140842146) is tert-butyl N-(3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate is CC1CCC(n2ccnc2)=CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate?
The InChIKey is NXSLXMZUNHACNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-5-6-12(18-8-7-16-10-18)9-13(11)17-14(19)20-15(2,3)4/h7-11,13H,5-6H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-(3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate?
tert-butyl N-(3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate has a molecular weight of 277.37 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-imidazol-1-yl-6-methylcyclohex-2-en-1-yl)carbamate is sourced from PubChem (CID 140842146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).