N-methyl-1-(11H-pyrido[3,2-c][2]benzazepin-6-yl)methanamine

C15H15N3 — CID 21393411

IUPACN-methyl-1-(11H-pyrido[3,2-c][2]benzazepin-6-yl)methanamine
SMILESCNCC1=Nc2cccnc2Cc2ccccc21
InChIInChI=1S/C15H15N3/c1-16-10-15-12-6-3-2-5-11(12)9-14-13(18-15)7-4-8-17-14/h2-8,16H,9-10H2,1H3
InChIKeyDEFIEFGJTZYLQK-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.33
Rot. Bonds2

About N-methyl-1-(11H-pyrido[3,2-c][2]benzazepin-6-yl)methanamine

N-methyl-1-(11H-pyrido[3,2-c][2]benzazepin-6-yl)methanamine (PubChem CID 21393411) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is N-methyl-1-(11H-pyrido[3,2-c][2]benzazepin-6-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(11H-pyrido[3,2-c][2]benzazepin-6-yl)methanamine
PubChem CID21393411
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC NameN-methyl-1-(11H-pyrido[3,2-c][2]benzazepin-6-yl)methanamine
SMILESCNCC1=Nc2cccnc2Cc2ccccc21
InChIInChI=1S/C15H15N3/c1-16-10-15-12-6-3-2-5-11(12)9-14-13(18-15)7-4-8-17-14/h2-8,16H,9-10H2,1H3
InChIKeyDEFIEFGJTZYLQK-UHFFFAOYSA-N
XLogP2.33
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(11H-pyrido[3,2-c][2]benzazepin-6-yl)methanamine?
The IUPAC name of N-methyl-1-(11H-pyrido[3,2-c][2]benzazepin-6-yl)methanamine (CID 21393411) is N-methyl-1-(11H-pyrido[3,2-c][2]benzazepin-6-yl)methanamine.
What is the SMILES notation for N-methyl-1-(11H-pyrido[3,2-c][2]benzazepin-6-yl)methanamine?
The canonical SMILES for N-methyl-1-(11H-pyrido[3,2-c][2]benzazepin-6-yl)methanamine is CNCC1=Nc2cccnc2Cc2ccccc21.
What is the InChIKey of N-methyl-1-(11H-pyrido[3,2-c][2]benzazepin-6-yl)methanamine?
The InChIKey is DEFIEFGJTZYLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-16-10-15-12-6-3-2-5-11(12)9-14-13(18-15)7-4-8-17-14/h2-8,16H,9-10H2,1H3.
What are the key properties of N-methyl-1-(11H-pyrido[3,2-c][2]benzazepin-6-yl)methanamine?
N-methyl-1-(11H-pyrido[3,2-c][2]benzazepin-6-yl)methanamine has a molecular weight of 237.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(11H-pyrido[3,2-c][2]benzazepin-6-yl)methanamine is sourced from PubChem (CID 21393411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).