7-tert-butyl-7-methylpyrido[3,2-b]azepine

C14H18N2 — CID 155721847

IUPAC7-tert-butyl-7-methylpyrido[3,2-b]azepine
SMILESCC(C)(C)C1(C)C=Cc2ncccc2N=C1
InChIInChI=1S/C14H18N2/c1-13(2,3)14(4)8-7-12-11(16-10-14)6-5-9-15-12/h5-10H,1-4H3
InChIKeyQSTRILPBGAJWEH-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.86
Rot. Bonds

About 7-tert-butyl-7-methylpyrido[3,2-b]azepine

7-tert-butyl-7-methylpyrido[3,2-b]azepine (PubChem CID 155721847) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 7-tert-butyl-7-methylpyrido[3,2-b]azepine.

Molecular Properties

Compound Name7-tert-butyl-7-methylpyrido[3,2-b]azepine
PubChem CID155721847
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name7-tert-butyl-7-methylpyrido[3,2-b]azepine
SMILESCC(C)(C)C1(C)C=Cc2ncccc2N=C1
InChIInChI=1S/C14H18N2/c1-13(2,3)14(4)8-7-12-11(16-10-14)6-5-9-15-12/h5-10H,1-4H3
InChIKeyQSTRILPBGAJWEH-UHFFFAOYSA-N
XLogP3.86
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-7-methylpyrido[3,2-b]azepine?
The IUPAC name of 7-tert-butyl-7-methylpyrido[3,2-b]azepine (CID 155721847) is 7-tert-butyl-7-methylpyrido[3,2-b]azepine.
What is the SMILES notation for 7-tert-butyl-7-methylpyrido[3,2-b]azepine?
The canonical SMILES for 7-tert-butyl-7-methylpyrido[3,2-b]azepine is CC(C)(C)C1(C)C=Cc2ncccc2N=C1.
What is the InChIKey of 7-tert-butyl-7-methylpyrido[3,2-b]azepine?
The InChIKey is QSTRILPBGAJWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-13(2,3)14(4)8-7-12-11(16-10-14)6-5-9-15-12/h5-10H,1-4H3.
What are the key properties of 7-tert-butyl-7-methylpyrido[3,2-b]azepine?
7-tert-butyl-7-methylpyrido[3,2-b]azepine has a molecular weight of 214.31 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-7-methylpyrido[3,2-b]azepine is sourced from PubChem (CID 155721847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).