tert-butyl N-[cyclohexyl(imidazol-1-yl)methyl]carbamate

C15H25N3O2 — CID 135041273

IUPACtert-butyl N-[cyclohexyl(imidazol-1-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C1CCCCC1)n1ccnc1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)17-13(18-10-9-16-11-18)12-7-5-4-6-8-12/h9-13H,4-8H2,1-3H3,(H,17,19)
InChIKeyMGYJHHRHFKHBQY-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.49
Rot. Bonds3

About tert-butyl N-[cyclohexyl(imidazol-1-yl)methyl]carbamate

tert-butyl N-[cyclohexyl(imidazol-1-yl)methyl]carbamate (PubChem CID 135041273) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl N-[cyclohexyl(imidazol-1-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[cyclohexyl(imidazol-1-yl)methyl]carbamate
PubChem CID135041273
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl N-[cyclohexyl(imidazol-1-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C1CCCCC1)n1ccnc1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)17-13(18-10-9-16-11-18)12-7-5-4-6-8-12/h9-13H,4-8H2,1-3H3,(H,17,19)
InChIKeyMGYJHHRHFKHBQY-UHFFFAOYSA-N
XLogP3.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propylpentyl N-(3-imidazol-1-ylpropyl)carbamate
CID 127043142
2,4,4-trimethylpentyl N-(3-imidazol-1-ylpropyl)carbamate
CID 127043651
(3-methyl-2-propylpentyl) N-(3-imidazol-1-ylpropyl)carbamate
CID 127044286
2-ethylbutyl N-(3-imidazol-1-ylpropyl)carbamate
CID 127045617
2-ethylhexyl N-(3-imidazol-1-ylpropyl)carbamate
CID 127045619
3-methylpentan-2-yl N-(3-imidazol-1-ylpropyl)carbamate
CID 127045621
2-(1h-Imidazol-1-Yl)-N-(Trans-4-Methylcyclohexyl)acetamide
CID 36795531
tert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate
CID 75446422
tert-Butyl [3-(1H-imidazol-1-yl)propyl]carbamate
CID 65143044
1-(Cyclohexylmethyl)-3-methylimidazolium acetate
CID 134821258
1-[(1S)-1-cyclohexylethyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 97583725
tert-butyl N-[9-(2-imidazol-1-ylethylamino)-3-bicyclo[3.3.1]nonanyl]carbamate
CID 126810940

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[cyclohexyl(imidazol-1-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[cyclohexyl(imidazol-1-yl)methyl]carbamate (CID 135041273) is tert-butyl N-[cyclohexyl(imidazol-1-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[cyclohexyl(imidazol-1-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[cyclohexyl(imidazol-1-yl)methyl]carbamate is CC(C)(C)OC(=O)NC(C1CCCCC1)n1ccnc1.
What is the InChIKey of tert-butyl N-[cyclohexyl(imidazol-1-yl)methyl]carbamate?
The InChIKey is MGYJHHRHFKHBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)17-13(18-10-9-16-11-18)12-7-5-4-6-8-12/h9-13H,4-8H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[cyclohexyl(imidazol-1-yl)methyl]carbamate?
tert-butyl N-[cyclohexyl(imidazol-1-yl)methyl]carbamate has a molecular weight of 279.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[cyclohexyl(imidazol-1-yl)methyl]carbamate is sourced from PubChem (CID 135041273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).