5-methyl-6,7,8,11-tetrahydrobenzo[c][1]benzazepine

C15H17N — CID 170009815

IUPAC5-methyl-6,7,8,11-tetrahydrobenzo[c][1]benzazepine
SMILESCN1CC2=C(C=CCC2)Cc2ccccc21
InChIInChI=1S/C15H17N/c1-16-11-14-8-3-2-6-12(14)10-13-7-4-5-9-15(13)16/h2,4-7,9H,3,8,10-11H2,1H3
InChIKeyMQXXAXUPWSPGOR-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.33
Rot. Bonds

About 5-methyl-6,7,8,11-tetrahydrobenzo[c][1]benzazepine

5-methyl-6,7,8,11-tetrahydrobenzo[c][1]benzazepine (PubChem CID 170009815) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-methyl-6,7,8,11-tetrahydrobenzo[c][1]benzazepine.

Molecular Properties

Compound Name5-methyl-6,7,8,11-tetrahydrobenzo[c][1]benzazepine
PubChem CID170009815
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name5-methyl-6,7,8,11-tetrahydrobenzo[c][1]benzazepine
SMILESCN1CC2=C(C=CCC2)Cc2ccccc21
InChIInChI=1S/C15H17N/c1-16-11-14-8-3-2-6-12(14)10-13-7-4-5-9-15(13)16/h2,4-7,9H,3,8,10-11H2,1H3
InChIKeyMQXXAXUPWSPGOR-UHFFFAOYSA-N
XLogP3.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,7,8,11-tetrahydrobenzo[c][1]benzazepine?
The IUPAC name of 5-methyl-6,7,8,11-tetrahydrobenzo[c][1]benzazepine (CID 170009815) is 5-methyl-6,7,8,11-tetrahydrobenzo[c][1]benzazepine.
What is the SMILES notation for 5-methyl-6,7,8,11-tetrahydrobenzo[c][1]benzazepine?
The canonical SMILES for 5-methyl-6,7,8,11-tetrahydrobenzo[c][1]benzazepine is CN1CC2=C(C=CCC2)Cc2ccccc21.
What is the InChIKey of 5-methyl-6,7,8,11-tetrahydrobenzo[c][1]benzazepine?
The InChIKey is MQXXAXUPWSPGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-16-11-14-8-3-2-6-12(14)10-13-7-4-5-9-15(13)16/h2,4-7,9H,3,8,10-11H2,1H3.
What are the key properties of 5-methyl-6,7,8,11-tetrahydrobenzo[c][1]benzazepine?
5-methyl-6,7,8,11-tetrahydrobenzo[c][1]benzazepine has a molecular weight of 211.31 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,7,8,11-tetrahydrobenzo[c][1]benzazepine is sourced from PubChem (CID 170009815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).