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

C16H24N2O — CID 82718467

IUPAC[2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)oxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)N1CCc2ccccc2CC1
InChIInChI=1S/C16H24N2O/c1-13-16(12-17,8-11-19-13)18-9-6-14-4-2-3-5-15(14)7-10-18/h2-5,13H,6-12,17H2,1H3
InChIKeyYLHKUMFXTOBEFN-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.59
Rot. Bonds2

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

[2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)oxolan-3-yl]methanamine (PubChem CID 82718467) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)oxolan-3-yl]methanamine
PubChem CID82718467
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)oxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)N1CCc2ccccc2CC1
InChIInChI=1S/C16H24N2O/c1-13-16(12-17,8-11-19-13)18-9-6-14-4-2-3-5-15(14)7-10-18/h2-5,13H,6-12,17H2,1H3
InChIKeyYLHKUMFXTOBEFN-UHFFFAOYSA-N
XLogP1.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)oxolan-3-yl]methanamine?
The IUPAC name of [2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)oxolan-3-yl]methanamine (CID 82718467) is [2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for [2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)oxolan-3-yl]methanamine?
The canonical SMILES for [2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)oxolan-3-yl]methanamine is CC1OCCC1(CN)N1CCc2ccccc2CC1.
What is the InChIKey of [2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)oxolan-3-yl]methanamine?
The InChIKey is YLHKUMFXTOBEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-16(12-17,8-11-19-13)18-9-6-14-4-2-3-5-15(14)7-10-18/h2-5,13H,6-12,17H2,1H3.
What are the key properties of [2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)oxolan-3-yl]methanamine?
[2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)oxolan-3-yl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 82718467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).