tert-butyl N-(4-ethenylcyclohexyl)-N-pyridin-2-ylcarbamate

C18H26N2O2 — CID 134394425

IUPACtert-butyl N-(4-ethenylcyclohexyl)-N-pyridin-2-ylcarbamate
SMILESC=CC1CCC(N(C(=O)OC(C)(C)C)c2ccccn2)CC1
InChIInChI=1S/C18H26N2O2/c1-5-14-9-11-15(12-10-14)20(16-8-6-7-13-19-16)17(21)22-18(2,3)4/h5-8,13-15H,1,9-12H2,2-4H3
InChIKeyCALXZGKUDRIFFH-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.57
Rot. Bonds3

About tert-butyl N-(4-ethenylcyclohexyl)-N-pyridin-2-ylcarbamate

tert-butyl N-(4-ethenylcyclohexyl)-N-pyridin-2-ylcarbamate (PubChem CID 134394425) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl N-(4-ethenylcyclohexyl)-N-pyridin-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-ethenylcyclohexyl)-N-pyridin-2-ylcarbamate
PubChem CID134394425
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametert-butyl N-(4-ethenylcyclohexyl)-N-pyridin-2-ylcarbamate
SMILESC=CC1CCC(N(C(=O)OC(C)(C)C)c2ccccn2)CC1
InChIInChI=1S/C18H26N2O2/c1-5-14-9-11-15(12-10-14)20(16-8-6-7-13-19-16)17(21)22-18(2,3)4/h5-8,13-15H,1,9-12H2,2-4H3
InChIKeyCALXZGKUDRIFFH-UHFFFAOYSA-N
XLogP4.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-ethenylcyclohexyl)-N-pyridin-2-ylcarbamate?
The IUPAC name of tert-butyl N-(4-ethenylcyclohexyl)-N-pyridin-2-ylcarbamate (CID 134394425) is tert-butyl N-(4-ethenylcyclohexyl)-N-pyridin-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-(4-ethenylcyclohexyl)-N-pyridin-2-ylcarbamate?
The canonical SMILES for tert-butyl N-(4-ethenylcyclohexyl)-N-pyridin-2-ylcarbamate is C=CC1CCC(N(C(=O)OC(C)(C)C)c2ccccn2)CC1.
What is the InChIKey of tert-butyl N-(4-ethenylcyclohexyl)-N-pyridin-2-ylcarbamate?
The InChIKey is CALXZGKUDRIFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-14-9-11-15(12-10-14)20(16-8-6-7-13-19-16)17(21)22-18(2,3)4/h5-8,13-15H,1,9-12H2,2-4H3.
What are the key properties of tert-butyl N-(4-ethenylcyclohexyl)-N-pyridin-2-ylcarbamate?
tert-butyl N-(4-ethenylcyclohexyl)-N-pyridin-2-ylcarbamate has a molecular weight of 302.42 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-ethenylcyclohexyl)-N-pyridin-2-ylcarbamate is sourced from PubChem (CID 134394425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).