(11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)methanamine

C16H16N2 — CID 57356776

IUPAC(11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)methanamine
SMILESCN1c2ccccc2CC(=CN)c2ccccc21
InChIInChI=1S/C16H16N2/c1-18-15-8-4-2-6-12(15)10-13(11-17)14-7-3-5-9-16(14)18/h2-9,11H,10,17H2,1H3
InChIKeyDMZMLICKMVHSQG-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.31
Rot. Bonds

About (11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)methanamine

(11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)methanamine (PubChem CID 57356776) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)methanamine.

Molecular Properties

Compound Name(11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)methanamine
PubChem CID57356776
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name(11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)methanamine
SMILESCN1c2ccccc2CC(=CN)c2ccccc21
InChIInChI=1S/C16H16N2/c1-18-15-8-4-2-6-12(15)10-13(11-17)14-7-3-5-9-16(14)18/h2-9,11H,10,17H2,1H3
InChIKeyDMZMLICKMVHSQG-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)hydroxylamine
CID 154103165
5-methyl-8,13-dihydroindeno[1,2-a]acridine
CID 158084314
1-methyl-3H-indole-2-thione
CID 26156
(2E)-2-(aminomethylidene)-3H-inden-1-one
CID 3037167
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
2-methyl-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
CID 162243308
4,10-dimethyl-9H-acridine
CID 159483382
10-methyl-9H-acridin-1-ol
CID 67275836
12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene
CID 71004422
10-methyl-9-[[5-[(10-methylacridin-9-ylidene)methyl]thiophen-2-yl]methylidene]acridine
CID 102043530
4-methoxy-10-methyl-9H-acridine
CID 15358177
8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one
CID 46930002

Frequently Asked Questions

What is the IUPAC name of (11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)methanamine?
The IUPAC name of (11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)methanamine (CID 57356776) is (11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)methanamine.
What is the SMILES notation for (11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)methanamine?
The canonical SMILES for (11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)methanamine is CN1c2ccccc2CC(=CN)c2ccccc21.
What is the InChIKey of (11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)methanamine?
The InChIKey is DMZMLICKMVHSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-18-15-8-4-2-6-12(15)10-13(11-17)14-7-3-5-9-16(14)18/h2-9,11H,10,17H2,1H3.
What are the key properties of (11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)methanamine?
(11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)methanamine has a molecular weight of 236.32 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)methanamine is sourced from PubChem (CID 57356776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).