tert-butyl N-(3-imidazol-1-ylcyclohexyl)carbamate

C14H23N3O2 — CID 121317505

IUPACtert-butyl N-(3-imidazol-1-ylcyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(n2ccnc2)C1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)16-11-5-4-6-12(9-11)17-8-7-15-10-17/h7-8,10-12H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyXONOIEKUAGFREI-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.89
Rot. Bonds2

About tert-butyl N-(3-imidazol-1-ylcyclohexyl)carbamate

tert-butyl N-(3-imidazol-1-ylcyclohexyl)carbamate (PubChem CID 121317505) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl N-(3-imidazol-1-ylcyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-imidazol-1-ylcyclohexyl)carbamate
PubChem CID121317505
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl N-(3-imidazol-1-ylcyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(n2ccnc2)C1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)16-11-5-4-6-12(9-11)17-8-7-15-10-17/h7-8,10-12H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyXONOIEKUAGFREI-UHFFFAOYSA-N
XLogP2.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-imidazol-1-ylcyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(3-imidazol-1-ylcyclohexyl)carbamate (CID 121317505) is tert-butyl N-(3-imidazol-1-ylcyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-imidazol-1-ylcyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(3-imidazol-1-ylcyclohexyl)carbamate is CC(C)(C)OC(=O)NC1CCCC(n2ccnc2)C1.
What is the InChIKey of tert-butyl N-(3-imidazol-1-ylcyclohexyl)carbamate?
The InChIKey is XONOIEKUAGFREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)16-11-5-4-6-12(9-11)17-8-7-15-10-17/h7-8,10-12H,4-6,9H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-(3-imidazol-1-ylcyclohexyl)carbamate?
tert-butyl N-(3-imidazol-1-ylcyclohexyl)carbamate has a molecular weight of 265.36 g/mol, XLogP of 2.89, 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-ylcyclohexyl)carbamate is sourced from PubChem (CID 121317505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).