5-(8-methyl-11H-benzo[c][1]benzazepin-6-yl)pentan-1-amine

C20H24N2 — CID 142992192

IUPAC5-(8-methyl-11H-benzo[c][1]benzazepin-6-yl)pentan-1-amine
SMILESCc1ccc2c(c1)C(CCCCCN)=Nc1ccccc1C2
InChIInChI=1S/C20H24N2/c1-15-10-11-16-14-17-7-4-5-8-19(17)22-20(18(16)13-15)9-3-2-6-12-21/h4-5,7-8,10-11,13H,2-3,6,9,12,14,21H2,1H3
InChIKeyVDMBNDCIIXCMCH-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.54
Rot. Bonds5

About 5-(8-methyl-11H-benzo[c][1]benzazepin-6-yl)pentan-1-amine

5-(8-methyl-11H-benzo[c][1]benzazepin-6-yl)pentan-1-amine (PubChem CID 142992192) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-(8-methyl-11H-benzo[c][1]benzazepin-6-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(8-methyl-11H-benzo[c][1]benzazepin-6-yl)pentan-1-amine
PubChem CID142992192
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name5-(8-methyl-11H-benzo[c][1]benzazepin-6-yl)pentan-1-amine
SMILESCc1ccc2c(c1)C(CCCCCN)=Nc1ccccc1C2
InChIInChI=1S/C20H24N2/c1-15-10-11-16-14-17-7-4-5-8-19(17)22-20(18(16)13-15)9-3-2-6-12-21/h4-5,7-8,10-11,13H,2-3,6,9,12,14,21H2,1H3
InChIKeyVDMBNDCIIXCMCH-UHFFFAOYSA-N
XLogP4.54
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9H-fluorene;hexane-1,6-diamine
CID 19108206
2-(2,5-dimethylphenyl)-3H-indole
CID 118351581
6-(methoxymethyl)-11H-benzo[c][1]benzazepine
CID 175674644
12-(2,4-dimethylphenyl)dodecan-1-amine
CID 70565754
ethane-1,2-diamine;9H-fluorene
CID 159422270
(1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride
CID 171233257
5-ethyl-3-methyl-9H-fluorene
CID 145007072
10-methyl-7,12-dihydroindeno[1,2-a]fluorene
CID 161385302
2-methyl-7,12-dihydrobenzo[a]anthracene
CID 23624934
ethanamine;9H-fluorene
CID 158316259
8-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one
CID 102431030
3-tricosyl-9H-fluorene
CID 141426174

Frequently Asked Questions

What is the IUPAC name of 5-(8-methyl-11H-benzo[c][1]benzazepin-6-yl)pentan-1-amine?
The IUPAC name of 5-(8-methyl-11H-benzo[c][1]benzazepin-6-yl)pentan-1-amine (CID 142992192) is 5-(8-methyl-11H-benzo[c][1]benzazepin-6-yl)pentan-1-amine.
What is the SMILES notation for 5-(8-methyl-11H-benzo[c][1]benzazepin-6-yl)pentan-1-amine?
The canonical SMILES for 5-(8-methyl-11H-benzo[c][1]benzazepin-6-yl)pentan-1-amine is Cc1ccc2c(c1)C(CCCCCN)=Nc1ccccc1C2.
What is the InChIKey of 5-(8-methyl-11H-benzo[c][1]benzazepin-6-yl)pentan-1-amine?
The InChIKey is VDMBNDCIIXCMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-15-10-11-16-14-17-7-4-5-8-19(17)22-20(18(16)13-15)9-3-2-6-12-21/h4-5,7-8,10-11,13H,2-3,6,9,12,14,21H2,1H3.
What are the key properties of 5-(8-methyl-11H-benzo[c][1]benzazepin-6-yl)pentan-1-amine?
5-(8-methyl-11H-benzo[c][1]benzazepin-6-yl)pentan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-methyl-11H-benzo[c][1]benzazepin-6-yl)pentan-1-amine is sourced from PubChem (CID 142992192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).