5-methyl-6,7,8,9-tetrahydrobenzo[d][1]benzazepine

C15H17N — CID 143188762

IUPAC5-methyl-6,7,8,9-tetrahydrobenzo[d][1]benzazepine
SMILESCN1CCC2=C(C=CCC2)c2ccccc21
InChIInChI=1S/C15H17N/c1-16-11-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)16/h3-5,7-9H,2,6,10-11H2,1H3
InChIKeyUGFNMQGSZFSUSW-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.63
Rot. Bonds

About 5-methyl-6,7,8,9-tetrahydrobenzo[d][1]benzazepine

5-methyl-6,7,8,9-tetrahydrobenzo[d][1]benzazepine (PubChem CID 143188762) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-methyl-6,7,8,9-tetrahydrobenzo[d][1]benzazepine.

Molecular Properties

Compound Name5-methyl-6,7,8,9-tetrahydrobenzo[d][1]benzazepine
PubChem CID143188762
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name5-methyl-6,7,8,9-tetrahydrobenzo[d][1]benzazepine
SMILESCN1CCC2=C(C=CCC2)c2ccccc21
InChIInChI=1S/C15H17N/c1-16-11-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)16/h3-5,7-9H,2,6,10-11H2,1H3
InChIKeyUGFNMQGSZFSUSW-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-methyl-6,7,8,11-tetrahydrobenzo[c][1]benzazepine
CID 170009815
1-methyl-2H-indol-3-one
CID 10125067
1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole
CID 174854598
2,9-dihydro-1H-fluorene;oxolane
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10-methyl-9,9-bis(trifluoromethyl)-3,4-dihydroacridine
CID 89434043
5,11-dimethyl-7,8-dihydrobenzo[b][1]benzazepine
CID 170189111
14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,18-octaene
CID 130464664
10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]
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3,4,5,6-tetrahydro-2H-naphthalen-1-one
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1-(4-oxo-2,3-dihydroquinolin-1-yl)-2,3-dihydroquinolin-4-one
CID 66967300
4-(hydroxymethyl)-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 24973063

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,7,8,9-tetrahydrobenzo[d][1]benzazepine?
The IUPAC name of 5-methyl-6,7,8,9-tetrahydrobenzo[d][1]benzazepine (CID 143188762) is 5-methyl-6,7,8,9-tetrahydrobenzo[d][1]benzazepine.
What is the SMILES notation for 5-methyl-6,7,8,9-tetrahydrobenzo[d][1]benzazepine?
The canonical SMILES for 5-methyl-6,7,8,9-tetrahydrobenzo[d][1]benzazepine is CN1CCC2=C(C=CCC2)c2ccccc21.
What is the InChIKey of 5-methyl-6,7,8,9-tetrahydrobenzo[d][1]benzazepine?
The InChIKey is UGFNMQGSZFSUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-16-11-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)16/h3-5,7-9H,2,6,10-11H2,1H3.
What are the key properties of 5-methyl-6,7,8,9-tetrahydrobenzo[d][1]benzazepine?
5-methyl-6,7,8,9-tetrahydrobenzo[d][1]benzazepine has a molecular weight of 211.31 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,7,8,9-tetrahydrobenzo[d][1]benzazepine is sourced from PubChem (CID 143188762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).