6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine

C11H15N — CID 123432048

IUPAC6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine
SMILESCC1CCCC2=C1C=CCC=N2
InChIInChI=1S/C11H15N/c1-9-5-4-7-11-10(9)6-2-3-8-12-11/h2,6,8-9H,3-5,7H2,1H3
InChIKeyCMPAJWGWUSYPAT-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.09
Rot. Bonds

About 6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine

6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine (PubChem CID 123432048) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine.

Molecular Properties

Compound Name6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine
PubChem CID123432048
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine
SMILESCC1CCCC2=C1C=CCC=N2
InChIInChI=1S/C11H15N/c1-9-5-4-7-11-10(9)6-2-3-8-12-11/h2,6,8-9H,3-5,7H2,1H3
InChIKeyCMPAJWGWUSYPAT-UHFFFAOYSA-N
XLogP3.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methyl-7-[4-(trifluoromethyl)cyclohexylidene]-3,4-dihydroazepine
CID 123320115
5,5a-dihydro-4H-2-benzazepine
CID 18435514
4,5,5a,9a-tetrahydro-3H-2-benzazepine
CID 53961654
2,5,5a,9a-tetrahydro-1H-3-benzazepine
CID 54189236
4,5,5a,9a-tetrahydro-3H-1-benzazepine
CID 54378898
4,5,5a,9a-tetrahydro-1H-2-benzazepine
CID 54443574
2,5,9,9a-tetrahydro-1H-3-benzazepine
CID 54493788
9a-Methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine
CID 58637675
5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole
CID 59152616
5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152617
5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole
CID 59152625
1,8,8-Trimethyl-4,9-dihydro-2-benzazepine
CID 67715130

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine?
The IUPAC name of 6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine (CID 123432048) is 6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine.
What is the SMILES notation for 6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine?
The canonical SMILES for 6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine is CC1CCCC2=C1C=CCC=N2.
What is the InChIKey of 6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine?
The InChIKey is CMPAJWGWUSYPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-9-5-4-7-11-10(9)6-2-3-8-12-11/h2,6,8-9H,3-5,7H2,1H3.
What are the key properties of 6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine?
6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine has a molecular weight of 161.25 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine is sourced from PubChem (CID 123432048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).