3-ethyl-3,7-dimethyl-4,5,8,9-tetrahydro-1-benzazepine

C14H21N — CID 90906755

IUPAC3-ethyl-3,7-dimethyl-4,5,8,9-tetrahydro-1-benzazepine
SMILESCCC1(C)C=NC2=C(C=C(C)CC2)CC1
InChIInChI=1S/C14H21N/c1-4-14(3)8-7-12-9-11(2)5-6-13(12)15-10-14/h9-10H,4-8H2,1-3H3
InChIKeyZOESVZRLQSSPHI-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.26
Rot. Bonds1

About 3-ethyl-3,7-dimethyl-4,5,8,9-tetrahydro-1-benzazepine

3-ethyl-3,7-dimethyl-4,5,8,9-tetrahydro-1-benzazepine (PubChem CID 90906755) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-ethyl-3,7-dimethyl-4,5,8,9-tetrahydro-1-benzazepine.

Molecular Properties

Compound Name3-ethyl-3,7-dimethyl-4,5,8,9-tetrahydro-1-benzazepine
PubChem CID90906755
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-ethyl-3,7-dimethyl-4,5,8,9-tetrahydro-1-benzazepine
SMILESCCC1(C)C=NC2=C(C=C(C)CC2)CC1
InChIInChI=1S/C14H21N/c1-4-14(3)8-7-12-9-11(2)5-6-13(12)15-10-14/h9-10H,4-8H2,1-3H3
InChIKeyZOESVZRLQSSPHI-UHFFFAOYSA-N
XLogP4.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,8,8-Trimethyl-4,9-dihydro-2-benzazepine
CID 67715130
(12R)-4-ethyl-9,12-dimethyl-2-azatricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaene
CID 89105201
6-(2,2-Dimethylbutyl)-2-azabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraene
CID 90747631
3-Ethyl-3,5-dimethyl-7-pentan-3-ylazepine
CID 90861129
3,3,5-Trimethyl-7-(2-methylbutyl)azepine
CID 90980602
3,5-Dimethyl-7-(2-methylbutyl)-3-(3-methylbutyl)azepine
CID 91138427
6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine
CID 123432048
3,6,6-trimethyl-3-nonan-5-yl-4H-cyclohepta[b]pyridine
CID 123857363
3,3-Dimethyl-6,7,8,9-tetrahydro-1-benzazepine
CID 123861063
(3E)-3-ethylidene-4-methyl-7-methylidene-4-propylazepine
CID 124009066
N-(4,4,5-trimethyl-7-methylidenecyclohepten-1-yl)propan-1-imine
CID 124014688
3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine
CID 129295409

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,7-dimethyl-4,5,8,9-tetrahydro-1-benzazepine?
The IUPAC name of 3-ethyl-3,7-dimethyl-4,5,8,9-tetrahydro-1-benzazepine (CID 90906755) is 3-ethyl-3,7-dimethyl-4,5,8,9-tetrahydro-1-benzazepine.
What is the SMILES notation for 3-ethyl-3,7-dimethyl-4,5,8,9-tetrahydro-1-benzazepine?
The canonical SMILES for 3-ethyl-3,7-dimethyl-4,5,8,9-tetrahydro-1-benzazepine is CCC1(C)C=NC2=C(C=C(C)CC2)CC1.
What is the InChIKey of 3-ethyl-3,7-dimethyl-4,5,8,9-tetrahydro-1-benzazepine?
The InChIKey is ZOESVZRLQSSPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-14(3)8-7-12-9-11(2)5-6-13(12)15-10-14/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-3,7-dimethyl-4,5,8,9-tetrahydro-1-benzazepine?
3-ethyl-3,7-dimethyl-4,5,8,9-tetrahydro-1-benzazepine has a molecular weight of 203.33 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,7-dimethyl-4,5,8,9-tetrahydro-1-benzazepine is sourced from PubChem (CID 90906755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).