2,2,4,4-tetramethyl-5-methylidene-1,3-dihydro-3-benzazepine

C15H21N — CID 139108027

IUPAC2,2,4,4-tetramethyl-5-methylidene-1,3-dihydro-3-benzazepine
SMILESC=C1c2ccccc2CC(C)(C)NC1(C)C
InChIInChI=1S/C15H21N/c1-11-13-9-7-6-8-12(13)10-14(2,3)16-15(11,4)5/h6-9,16H,1,10H2,2-5H3
InChIKeySGXBNPWESFSQJX-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.40
Rot. Bonds

About 2,2,4,4-tetramethyl-5-methylidene-1,3-dihydro-3-benzazepine

2,2,4,4-tetramethyl-5-methylidene-1,3-dihydro-3-benzazepine (PubChem CID 139108027) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-5-methylidene-1,3-dihydro-3-benzazepine.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-5-methylidene-1,3-dihydro-3-benzazepine
PubChem CID139108027
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2,2,4,4-tetramethyl-5-methylidene-1,3-dihydro-3-benzazepine
SMILESC=C1c2ccccc2CC(C)(C)NC1(C)C
InChIInChI=1S/C15H21N/c1-11-13-9-7-6-8-12(13)10-14(2,3)16-15(11,4)5/h6-9,16H,1,10H2,2-5H3
InChIKeySGXBNPWESFSQJX-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Mephentermine
CID 3677
Pentorex
CID 22031
2,3,4,5-tetrahydro-1H-2-benzazepine
CID 10464472
2,3,4,5-Tetrahydro-1H-benzo(d)azepine
CID 1400243
3-Phenylpentan-3-amine hydrochloride
CID 45036910
4-Phenylazepane
CID 436210
Cumylamine
CID 68509
5-Methyl-1,2,4,5-tetrahydrospiro[benzo[c]azepine-3,1'-cyclohexane]
CID 3148804
3,3,5-Trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine hydrochloride
CID 6603677
8-Fluoro-1-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine
CID 10329912
1-Methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 24773979
Cycloheptanamine, 1-phenyl-
CID 322435

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-5-methylidene-1,3-dihydro-3-benzazepine?
The IUPAC name of 2,2,4,4-tetramethyl-5-methylidene-1,3-dihydro-3-benzazepine (CID 139108027) is 2,2,4,4-tetramethyl-5-methylidene-1,3-dihydro-3-benzazepine.
What is the SMILES notation for 2,2,4,4-tetramethyl-5-methylidene-1,3-dihydro-3-benzazepine?
The canonical SMILES for 2,2,4,4-tetramethyl-5-methylidene-1,3-dihydro-3-benzazepine is C=C1c2ccccc2CC(C)(C)NC1(C)C.
What is the InChIKey of 2,2,4,4-tetramethyl-5-methylidene-1,3-dihydro-3-benzazepine?
The InChIKey is SGXBNPWESFSQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-11-13-9-7-6-8-12(13)10-14(2,3)16-15(11,4)5/h6-9,16H,1,10H2,2-5H3.
What are the key properties of 2,2,4,4-tetramethyl-5-methylidene-1,3-dihydro-3-benzazepine?
2,2,4,4-tetramethyl-5-methylidene-1,3-dihydro-3-benzazepine has a molecular weight of 215.34 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-5-methylidene-1,3-dihydro-3-benzazepine is sourced from PubChem (CID 139108027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).