tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate

C16H27N3O3 — CID 165498541

IUPACtert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate
SMILESCc1ncn(C2CC(O)CCC2NC(=O)OC(C)(C)C)c1C
InChIInChI=1S/C16H27N3O3/c1-10-11(2)19(9-17-10)14-8-12(20)6-7-13(14)18-15(21)22-16(3,4)5/h9,12-14,20H,6-8H2,1-5H3,(H,18,21)
InChIKeySKVBSWOHMMWWFI-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.48
Rot. Bonds2

About tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate

tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate (PubChem CID 165498541) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate
PubChem CID165498541
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Nametert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate
SMILESCc1ncn(C2CC(O)CCC2NC(=O)OC(C)(C)C)c1C
InChIInChI=1S/C16H27N3O3/c1-10-11(2)19(9-17-10)14-8-12(20)6-7-13(14)18-15(21)22-16(3,4)5/h9,12-14,20H,6-8H2,1-5H3,(H,18,21)
InChIKeySKVBSWOHMMWWFI-UHFFFAOYSA-N
XLogP2.48
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate
CID 165491268
tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate
CID 165498547
tert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate
CID 165498320
tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate
CID 165497934
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate
CID 154537617
tert-butyl N-[(1R)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R)-3-oxocyclopentyl]carbamate
CID 159223543
tert-butyl-[(1R,2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamic acid
CID 67056480
tert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate
CID 151269227
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate (CID 165498541) is tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate is Cc1ncn(C2CC(O)CCC2NC(=O)OC(C)(C)C)c1C.
What is the InChIKey of tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate?
The InChIKey is SKVBSWOHMMWWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-10-11(2)19(9-17-10)14-8-12(20)6-7-13(14)18-15(21)22-16(3,4)5/h9,12-14,20H,6-8H2,1-5H3,(H,18,21).
What are the key properties of tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate?
tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate has a molecular weight of 309.41 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate is sourced from PubChem (CID 165498541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).