tert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate

C17H20N4O2 — CID 123197257

IUPACtert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc2c3cnccc3n(C)c2n1
InChIInChI=1S/C17H20N4O2/c1-17(2,3)23-16(22)21(5)14-7-6-11-12-10-18-9-8-13(12)20(4)15(11)19-14/h6-10H,1-5H3
InChIKeyMGWASCRBLIFTQO-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.49
Rot. Bonds1

About tert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate

tert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate (PubChem CID 123197257) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate
PubChem CID123197257
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Nametert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc2c3cnccc3n(C)c2n1
InChIInChI=1S/C17H20N4O2/c1-17(2,3)23-16(22)21(5)14-7-6-11-12-10-18-9-8-13(12)20(4)15(11)19-14/h6-10H,1-5H3
InChIKeyMGWASCRBLIFTQO-UHFFFAOYSA-N
XLogP3.49
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate (CID 123197257) is tert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate is CN(C(=O)OC(C)(C)C)c1ccc2c3cnccc3n(C)c2n1.
What is the InChIKey of tert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate?
The InChIKey is MGWASCRBLIFTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-17(2,3)23-16(22)21(5)14-7-6-11-12-10-18-9-8-13(12)20(4)15(11)19-14/h6-10H,1-5H3.
What are the key properties of tert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate?
tert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate has a molecular weight of 312.37 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate is sourced from PubChem (CID 123197257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).