8,8-dimethyl-6,7-dihydropyrido[3,2-b]azepine

C11H14N2 — CID 142875425

IUPAC8,8-dimethyl-6,7-dihydropyrido[3,2-b]azepine
SMILESCC1(C)C=c2ncccc2=NCC1
InChIInChI=1S/C11H14N2/c1-11(2)5-7-13-9-4-3-6-12-10(9)8-11/h3-4,6,8H,5,7H2,1-2H3
InChIKeyTXOSXDGPEWIKMX-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.91
Rot. Bonds

About 8,8-dimethyl-6,7-dihydropyrido[3,2-b]azepine

8,8-dimethyl-6,7-dihydropyrido[3,2-b]azepine (PubChem CID 142875425) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 8,8-dimethyl-6,7-dihydropyrido[3,2-b]azepine.

Molecular Properties

Compound Name8,8-dimethyl-6,7-dihydropyrido[3,2-b]azepine
PubChem CID142875425
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name8,8-dimethyl-6,7-dihydropyrido[3,2-b]azepine
SMILESCC1(C)C=c2ncccc2=NCC1
InChIInChI=1S/C11H14N2/c1-11(2)5-7-13-9-4-3-6-12-10(9)8-11/h3-4,6,8H,5,7H2,1-2H3
InChIKeyTXOSXDGPEWIKMX-UHFFFAOYSA-N
XLogP0.91
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,10-Diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene
CID 53864316
4,4,6-trimethyl-3H-pyridine
CID 57056845
5,10-Diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,9,11,13-hexaene
CID 57181186
2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine
CID 59457874
(2E)-2-ethylidene-N-methylpyridin-3-imine
CID 68010674
(E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine
CID 71158073
2-ethylidene-N-methylpyridin-3-imine
CID 77385875
(7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine
CID 90153623
4-Ethyl-4-methylazepine
CID 123458207
4,4-Dimethyl-2,3-dihydroazepine
CID 123510241
N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine
CID 123534726
2-tert-butyl-4H-azepine
CID 123785365

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-6,7-dihydropyrido[3,2-b]azepine?
The IUPAC name of 8,8-dimethyl-6,7-dihydropyrido[3,2-b]azepine (CID 142875425) is 8,8-dimethyl-6,7-dihydropyrido[3,2-b]azepine.
What is the SMILES notation for 8,8-dimethyl-6,7-dihydropyrido[3,2-b]azepine?
The canonical SMILES for 8,8-dimethyl-6,7-dihydropyrido[3,2-b]azepine is CC1(C)C=c2ncccc2=NCC1.
What is the InChIKey of 8,8-dimethyl-6,7-dihydropyrido[3,2-b]azepine?
The InChIKey is TXOSXDGPEWIKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11(2)5-7-13-9-4-3-6-12-10(9)8-11/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of 8,8-dimethyl-6,7-dihydropyrido[3,2-b]azepine?
8,8-dimethyl-6,7-dihydropyrido[3,2-b]azepine has a molecular weight of 174.25 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-6,7-dihydropyrido[3,2-b]azepine is sourced from PubChem (CID 142875425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).