3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine

C13H19N — CID 58529230

IUPAC3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine
SMILESCN1CCc2ccccc2C(C)(C)C1
InChIInChI=1S/C13H19N/c1-13(2)10-14(3)9-8-11-6-4-5-7-12(11)13/h4-7H,8-10H2,1-3H3
InChIKeyCVKGFJIKMDYZRF-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.45
Rot. Bonds

About 3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine

3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine (PubChem CID 58529230) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine.

Molecular Properties

Compound Name3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine
PubChem CID58529230
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine
SMILESCN1CCc2ccccc2C(C)(C)C1
InChIInChI=1S/C13H19N/c1-13(2)10-14(3)9-8-11-6-4-5-7-12(11)13/h4-7H,8-10H2,1-3H3
InChIKeyCVKGFJIKMDYZRF-UHFFFAOYSA-N
XLogP2.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-(5,5-dimethyl-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone
CID 166408913
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
1-hydroperoxy-1,2-dimethyl-3,4-dihydroisoquinoline
CID 142046783
(1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl-trimethylsilane
CID 10083330
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
3,3-dimethyl-11b-phenyl-1,4,6,7-tetrahydrobenzo[a]quinolizin-2-one
CID 162400407
(5,5-dimethyl-2,4-dihydro-1H-3-benzazepin-3-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 136558435
2,4-dimethyl-1,3-dihydroisoquinolin-4-ol
CID 13117140
1-methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-amine
CID 43830899
2,5,5-trimethyl-1,4-dihydro-2-benzazepin-3-one
CID 11481120
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5,5-dimethyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide
CID 136552974
4-[(5,5-dimethyl-2,4-dihydro-1H-3-benzazepin-3-yl)methyl]-5-ethylfuran-2-carboxylic acid
CID 146135567

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine?
The IUPAC name of 3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine (CID 58529230) is 3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine.
What is the SMILES notation for 3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine?
The canonical SMILES for 3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine is CN1CCc2ccccc2C(C)(C)C1.
What is the InChIKey of 3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine?
The InChIKey is CVKGFJIKMDYZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-13(2)10-14(3)9-8-11-6-4-5-7-12(11)13/h4-7H,8-10H2,1-3H3.
What are the key properties of 3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine?
3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine has a molecular weight of 189.30 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine is sourced from PubChem (CID 58529230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).