3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine

C15H24N2O — CID 63192911

IUPAC3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)CN1CCOc2ccccc2C1
InChIInChI=1S/C15H24N2O/c1-15(2,11-16-3)12-17-8-9-18-14-7-5-4-6-13(14)10-17/h4-7,16H,8-12H2,1-3H3
InChIKeyUYBDKYMSCWPSAY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.13
Rot. Bonds4

About 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine

3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine (PubChem CID 63192911) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine
PubChem CID63192911
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)CN1CCOc2ccccc2C1
InChIInChI=1S/C15H24N2O/c1-15(2,11-16-3)12-17-8-9-18-14-7-5-4-6-13(14)10-17/h4-7,16H,8-12H2,1-3H3
InChIKeyUYBDKYMSCWPSAY-UHFFFAOYSA-N
XLogP2.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine (CID 63192911) is 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine is CNCC(C)(C)CN1CCOc2ccccc2C1.
What is the InChIKey of 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is UYBDKYMSCWPSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,11-16-3)12-17-8-9-18-14-7-5-4-6-13(14)10-17/h4-7,16H,8-12H2,1-3H3.
What are the key properties of 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine?
3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 63192911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).