2,2,5-trimethyl-1,3,4,5-tetrahydro-1-benzazepine

C13H19N — CID 134961616

IUPAC2,2,5-trimethyl-1,3,4,5-tetrahydro-1-benzazepine
SMILESCC1CCC(C)(C)Nc2ccccc21
InChIInChI=1S/C13H19N/c1-10-8-9-13(2,3)14-12-7-5-4-6-11(10)12/h4-7,10,14H,8-9H2,1-3H3
InChIKeyJSTCOYDKFKFGGC-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.77
Rot. Bonds

About 2,2,5-trimethyl-1,3,4,5-tetrahydro-1-benzazepine

2,2,5-trimethyl-1,3,4,5-tetrahydro-1-benzazepine (PubChem CID 134961616) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2,2,5-trimethyl-1,3,4,5-tetrahydro-1-benzazepine.

Molecular Properties

Compound Name2,2,5-trimethyl-1,3,4,5-tetrahydro-1-benzazepine
PubChem CID134961616
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2,2,5-trimethyl-1,3,4,5-tetrahydro-1-benzazepine
SMILESCC1CCC(C)(C)Nc2ccccc21
InChIInChI=1S/C13H19N/c1-10-8-9-13(2,3)14-12-7-5-4-6-11(10)12/h4-7,10,14H,8-9H2,1-3H3
InChIKeyJSTCOYDKFKFGGC-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11781265
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1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine
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1,3,3,5-tetramethyl-1,2,4,5-tetrahydro-2-benzazepine chloride
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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-1,3,4,5-tetrahydro-1-benzazepine?
The IUPAC name of 2,2,5-trimethyl-1,3,4,5-tetrahydro-1-benzazepine (CID 134961616) is 2,2,5-trimethyl-1,3,4,5-tetrahydro-1-benzazepine.
What is the SMILES notation for 2,2,5-trimethyl-1,3,4,5-tetrahydro-1-benzazepine?
The canonical SMILES for 2,2,5-trimethyl-1,3,4,5-tetrahydro-1-benzazepine is CC1CCC(C)(C)Nc2ccccc21.
What is the InChIKey of 2,2,5-trimethyl-1,3,4,5-tetrahydro-1-benzazepine?
The InChIKey is JSTCOYDKFKFGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-8-9-13(2,3)14-12-7-5-4-6-11(10)12/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of 2,2,5-trimethyl-1,3,4,5-tetrahydro-1-benzazepine?
2,2,5-trimethyl-1,3,4,5-tetrahydro-1-benzazepine has a molecular weight of 189.30 g/mol, XLogP of 3.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-1,3,4,5-tetrahydro-1-benzazepine is sourced from PubChem (CID 134961616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).