N-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine

C18H23N3 — CID 80637891

IUPACN-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine
SMILESCNCc1cnc(N2CCCc3ccccc3C2)c(C)c1
InChIInChI=1S/C18H23N3/c1-14-10-15(11-19-2)12-20-18(14)21-9-5-8-16-6-3-4-7-17(16)13-21/h3-4,6-7,10,12,19H,5,8-9,11,13H2,1-2H3
InChIKeyDOPJQNZCLPEXEG-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.06
Rot. Bonds3

About N-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine

N-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine (PubChem CID 80637891) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine
PubChem CID80637891
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine
SMILESCNCc1cnc(N2CCCc3ccccc3C2)c(C)c1
InChIInChI=1S/C18H23N3/c1-14-10-15(11-19-2)12-20-18(14)21-9-5-8-16-6-3-4-7-17(16)13-21/h3-4,6-7,10,12,19H,5,8-9,11,13H2,1-2H3
InChIKeyDOPJQNZCLPEXEG-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine with MolForge

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Related Compounds

N-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80635931
1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine
CID 80638539
4-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]-1,4-diazepan-2-one
CID 80635888
N-methyl-1-[5-methyl-6-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine
CID 80629688
N-methyl-1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]methanamine
CID 63152776
1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635442
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridin-3-amine
CID 62476681
3-[5-(chloromethyl)-3-methyl-2-pyridinyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 80628870
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile
CID 102545053
1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670475
2-(3,6-dimethylpyrazin-2-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 133470623
N,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 80830675

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine (CID 80637891) is N-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine is CNCc1cnc(N2CCCc3ccccc3C2)c(C)c1.
What is the InChIKey of N-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine?
The InChIKey is DOPJQNZCLPEXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14-10-15(11-19-2)12-20-18(14)21-9-5-8-16-6-3-4-7-17(16)13-21/h3-4,6-7,10,12,19H,5,8-9,11,13H2,1-2H3.
What are the key properties of N-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine?
N-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine has a molecular weight of 281.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 80637891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).