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

C17H21N3 — CID 81247869

IUPAC[6-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-pyridinyl]methanamine
SMILESCc1cc(N2CCCCc3ccccc32)c(CN)cn1
InChIInChI=1S/C17H21N3/c1-13-10-17(15(11-18)12-19-13)20-9-5-4-7-14-6-2-3-8-16(14)20/h2-3,6,8,10,12H,4-5,7,9,11,18H2,1H3
InChIKeyBXOSFVHBWAAUEA-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.32
Rot. Bonds2

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

[6-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-pyridinyl]methanamine (PubChem CID 81247869) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is [6-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-pyridinyl]methanamine
PubChem CID81247869
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name[6-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-pyridinyl]methanamine
SMILESCc1cc(N2CCCCc3ccccc32)c(CN)cn1
InChIInChI=1S/C17H21N3/c1-13-10-17(15(11-18)12-19-13)20-9-5-4-7-14-6-2-3-8-16(14)20/h2-3,6,8,10,12H,4-5,7,9,11,18H2,1H3
InChIKeyBXOSFVHBWAAUEA-UHFFFAOYSA-N
XLogP3.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-pyridinyl]methanamine (CID 81247869) is [6-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-pyridinyl]methanamine is Cc1cc(N2CCCCc3ccccc32)c(CN)cn1.
What is the InChIKey of [6-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is BXOSFVHBWAAUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-13-10-17(15(11-18)12-19-13)20-9-5-4-7-14-6-2-3-8-16(14)20/h2-3,6,8,10,12H,4-5,7,9,11,18H2,1H3.
What are the key properties of [6-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-pyridinyl]methanamine?
[6-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 267.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81247869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).