N,N-dimethyl-11H-benzo[b][1]benzazepin-5-amine

C16H16N2 — CID 143147931

IUPACN,N-dimethyl-11H-benzo[b][1]benzazepin-5-amine
SMILESCN(C)C1=Cc2ccccc2Nc2ccccc21
InChIInChI=1S/C16H16N2/c1-18(2)16-11-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)16/h3-11,17H,1-2H3
InChIKeyMZKBOZOHRVAIJW-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.80
Rot. Bonds1

About N,N-dimethyl-11H-benzo[b][1]benzazepin-5-amine

N,N-dimethyl-11H-benzo[b][1]benzazepin-5-amine (PubChem CID 143147931) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N,N-dimethyl-11H-benzo[b][1]benzazepin-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-11H-benzo[b][1]benzazepin-5-amine
PubChem CID143147931
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC NameN,N-dimethyl-11H-benzo[b][1]benzazepin-5-amine
SMILESCN(C)C1=Cc2ccccc2Nc2ccccc21
InChIInChI=1S/C16H16N2/c1-18(2)16-11-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)16/h3-11,17H,1-2H3
InChIKeyMZKBOZOHRVAIJW-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(methoxymethyl)-11H-benzo[b][1]benzazepine
CID 143075196
5-(1H-pyrrol-2-yl)-11H-benzo[b][1]benzazepine
CID 11777285
1-(11H-benzo[b][1]benzazepin-5-yl)-2-chloroethanone
CID 163198651
4-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene
CID 10332163
5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione;N,N-dimethylformamide
CID 139145821
2-(5,11-dihydrobenzo[b][1,4]benzodiazepin-6-ylideneamino)-N,N-dimethylethanamine
CID 135424615
7-azabicyclo[4.2.0]octa-1,3,5-triene-8-thione
CID 54163688
2-(1H-quinolin-2-ylidene)-1H-quinoline
CID 162286112
2-(3-aminocyclohexyl)-4-N,4-N-dimethyl-1H-quinoline-2,4-diamine
CID 152753354
4b-methyl-5H-indeno[1,2-b]indole
CID 151328364
(3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one
CID 22154428
disodium;5,10-dihydrophenazine;hydride
CID 173242868

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-11H-benzo[b][1]benzazepin-5-amine?
The IUPAC name of N,N-dimethyl-11H-benzo[b][1]benzazepin-5-amine (CID 143147931) is N,N-dimethyl-11H-benzo[b][1]benzazepin-5-amine.
What is the SMILES notation for N,N-dimethyl-11H-benzo[b][1]benzazepin-5-amine?
The canonical SMILES for N,N-dimethyl-11H-benzo[b][1]benzazepin-5-amine is CN(C)C1=Cc2ccccc2Nc2ccccc21.
What is the InChIKey of N,N-dimethyl-11H-benzo[b][1]benzazepin-5-amine?
The InChIKey is MZKBOZOHRVAIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-18(2)16-11-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)16/h3-11,17H,1-2H3.
What are the key properties of N,N-dimethyl-11H-benzo[b][1]benzazepin-5-amine?
N,N-dimethyl-11H-benzo[b][1]benzazepin-5-amine has a molecular weight of 236.32 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-11H-benzo[b][1]benzazepin-5-amine is sourced from PubChem (CID 143147931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).