3,7,9,9-tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine

C13H20N2 — CID 142152429

IUPAC3,7,9,9-tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine
SMILESCC1C=CC2=C(N=C1)C(C)(C)NC(C)C2
InChIInChI=1S/C13H20N2/c1-9-5-6-11-7-10(2)15-13(3,4)12(11)14-8-9/h5-6,8-10,15H,7H2,1-4H3
InChIKeyZKSBYXXCPPZHOB-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.68
Rot. Bonds

About 3,7,9,9-tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine

3,7,9,9-tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine (PubChem CID 142152429) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3,7,9,9-tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine.

Molecular Properties

Compound Name3,7,9,9-tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine
PubChem CID142152429
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3,7,9,9-tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine
SMILESCC1C=CC2=C(N=C1)C(C)(C)NC(C)C2
InChIInChI=1S/C13H20N2/c1-9-5-6-11-7-10(2)15-13(3,4)12(11)14-8-9/h5-6,8-10,15H,7H2,1-4H3
InChIKeyZKSBYXXCPPZHOB-UHFFFAOYSA-N
XLogP2.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,7,9,9-tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
CID 69190251
2,3,5a,9a-tetrahydro-1H-1,4-benzodiazepine
CID 90980838
N-[2-(7-ethyl-5-methyl-6H-cyclohepta[b]pyridin-9-yl)ethyl]pyrrolidin-3-amine
CID 91609349
N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine
CID 118124176
6-methyl-7-(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)-4,5-dihydro-3H-azepine
CID 123155330
3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine
CID 123521363
3-methyl-6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine
CID 123695228
2-methanimidoyl-6-[[(2R)-2,3,5-trimethyl-1,2-dihydropyridin-6-yl]methylideneamino]cyclohex-3-en-1-amine
CID 129126653
(2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine
CID 139519521
6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine
CID 143453446
N-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine
CID 166901468
2,9a-Dimethyl-1,2,3,9-tetrahydro-1,5-benzodiazepine
CID 167084005

Frequently Asked Questions

What is the IUPAC name of 3,7,9,9-tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine?
The IUPAC name of 3,7,9,9-tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine (CID 142152429) is 3,7,9,9-tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine.
What is the SMILES notation for 3,7,9,9-tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine?
The canonical SMILES for 3,7,9,9-tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine is CC1C=CC2=C(N=C1)C(C)(C)NC(C)C2.
What is the InChIKey of 3,7,9,9-tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine?
The InChIKey is ZKSBYXXCPPZHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-5-6-11-7-10(2)15-13(3,4)12(11)14-8-9/h5-6,8-10,15H,7H2,1-4H3.
What are the key properties of 3,7,9,9-tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine?
3,7,9,9-tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine has a molecular weight of 204.32 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,9,9-tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine is sourced from PubChem (CID 142152429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).