6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine

C12H17N — CID 75464980

IUPAC6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCc1ccc(C)c2c1CCCNC2
InChIInChI=1S/C12H17N/c1-9-5-6-10(2)12-8-13-7-3-4-11(9)12/h5-6,13H,3-4,7-8H2,1-2H3
InChIKeyKEUMBDIXDMKUAM-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.34
Rot. Bonds

About 6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine

6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 75464980) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID75464980
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCc1ccc(C)c2c1CCCNC2
InChIInChI=1S/C12H17N/c1-9-5-6-10(2)12-8-13-7-3-4-11(9)12/h5-6,13H,3-4,7-8H2,1-2H3
InChIKeyKEUMBDIXDMKUAM-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[(2,5-dimethylphenyl)methylidene]piperidine
CID 79879354
7-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
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Frequently Asked Questions

What is the IUPAC name of 6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 75464980) is 6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine is Cc1ccc(C)c2c1CCCNC2.
What is the InChIKey of 6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is KEUMBDIXDMKUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-5-6-10(2)12-8-13-7-3-4-11(9)12/h5-6,13H,3-4,7-8H2,1-2H3.
What are the key properties of 6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 175.28 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 75464980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).