8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine

C15H23N — CID 134590925

IUPAC8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCC(C)(C)Cc1ccc2c(c1)CNCCC2
InChIInChI=1S/C15H23N/c1-15(2,3)10-12-6-7-13-5-4-8-16-11-14(13)9-12/h6-7,9,16H,4-5,8,10-11H2,1-3H3
InChIKeyPPISGTRHLRVNLJ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.31
Rot. Bonds1

About 8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine

8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 134590925) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID134590925
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCC(C)(C)Cc1ccc2c(c1)CNCCC2
InChIInChI=1S/C15H23N/c1-15(2,3)10-12-6-7-13-5-4-8-16-11-14(13)9-12/h6-7,9,16H,4-5,8,10-11H2,1-3H3
InChIKeyPPISGTRHLRVNLJ-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine 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

8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
CID 75366017
8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75366031
ethane;2,3,4,5-tetrahydro-1H-2-benzazepine
CID 145125160
7-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 58285092
3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 116925103
tert-butyl 3-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanoate
CID 142433320
2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116927629
tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate
CID 83825841
2-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]propan-2-amine
CID 115104818
7-(propan-2-ylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104140
7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104157
N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 115104802

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 134590925) is 8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine is CC(C)(C)Cc1ccc2c(c1)CNCCC2.
What is the InChIKey of 8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is PPISGTRHLRVNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-15(2,3)10-12-6-7-13-5-4-8-16-11-14(13)9-12/h6-7,9,16H,4-5,8,10-11H2,1-3H3.
What are the key properties of 8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine?
8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 217.36 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 134590925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).