N-methyl-1-(1-methyl-4H-2-benzazepin-6-yl)ethanimine

C14H16N2 — CID 90753658

IUPACN-methyl-1-(1-methyl-4H-2-benzazepin-6-yl)ethanimine
SMILESC/N=C(\C)c1cccc2c1=CCC=NC=2C
InChIInChI=1S/C14H16N2/c1-10(15-3)12-6-4-7-13-11(2)16-9-5-8-14(12)13/h4,6-9H,5H2,1-3H3/b15-10+
InChIKeyBKEUKXPNMIIOPF-XNTDXEJSSA-N
MW212.30 g/mol
LogP1.51
Rot. Bonds1

About N-methyl-1-(1-methyl-4H-2-benzazepin-6-yl)ethanimine

N-methyl-1-(1-methyl-4H-2-benzazepin-6-yl)ethanimine (PubChem CID 90753658) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is N-methyl-1-(1-methyl-4H-2-benzazepin-6-yl)ethanimine.

Molecular Properties

Compound NameN-methyl-1-(1-methyl-4H-2-benzazepin-6-yl)ethanimine
PubChem CID90753658
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC NameN-methyl-1-(1-methyl-4H-2-benzazepin-6-yl)ethanimine
SMILESC/N=C(\C)c1cccc2c1=CCC=NC=2C
InChIInChI=1S/C14H16N2/c1-10(15-3)12-6-4-7-13-11(2)16-9-5-8-14(12)13/h4,6-9H,5H2,1-3H3/b15-10+
InChIKeyBKEUKXPNMIIOPF-XNTDXEJSSA-N
XLogP1.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2H-1,4-Benzodiazepine
CID 21162934
Methylazepino indole
CID 129789857
5-[4-ethenyl-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-2,5-dihydropyridin-6-yl]-2H-azepine
CID 129171268
2-(4,5-Dimethylpyrrol-3-ylidene)indole
CID 123661071
Methyldiazepinoindole
CID 129801400
(5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene
CID 23049989
8-Methylpyrrolo[2,3-e]indole
CID 67706737
1,8,8-Trimethyl-4,9-dihydro-2-benzazepine
CID 67715130
6-Pentyl-2,5-benzodiazocine
CID 67860016
(4Z)-4-ethylidene-N-methylpyridin-3-imine
CID 68179746
2-pentyl-11H-pyrido[2,3-i][1,4]benzodiazepine
CID 70455692
2H-1,3-Benzodiazepine
CID 71346896

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methyl-4H-2-benzazepin-6-yl)ethanimine?
The IUPAC name of N-methyl-1-(1-methyl-4H-2-benzazepin-6-yl)ethanimine (CID 90753658) is N-methyl-1-(1-methyl-4H-2-benzazepin-6-yl)ethanimine.
What is the SMILES notation for N-methyl-1-(1-methyl-4H-2-benzazepin-6-yl)ethanimine?
The canonical SMILES for N-methyl-1-(1-methyl-4H-2-benzazepin-6-yl)ethanimine is C/N=C(\C)c1cccc2c1=CCC=NC=2C.
What is the InChIKey of N-methyl-1-(1-methyl-4H-2-benzazepin-6-yl)ethanimine?
The InChIKey is BKEUKXPNMIIOPF-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H16N2/c1-10(15-3)12-6-4-7-13-11(2)16-9-5-8-14(12)13/h4,6-9H,5H2,1-3H3/b15-10+.
What are the key properties of N-methyl-1-(1-methyl-4H-2-benzazepin-6-yl)ethanimine?
N-methyl-1-(1-methyl-4H-2-benzazepin-6-yl)ethanimine has a molecular weight of 212.30 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methyl-4H-2-benzazepin-6-yl)ethanimine is sourced from PubChem (CID 90753658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).