N-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine

C18H28N2O — CID 104746584

IUPACN-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine
SMILESCCNC(CN1CCCCc2ccccc21)C1CCOC1
InChIInChI=1S/C18H28N2O/c1-2-19-17(16-10-12-21-14-16)13-20-11-6-5-8-15-7-3-4-9-18(15)20/h3-4,7,9,16-17,19H,2,5-6,8,10-14H2,1H3
InChIKeyUQWHBJIQLAZOSU-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.84
Rot. Bonds5

About N-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine

N-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine (PubChem CID 104746584) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine
PubChem CID104746584
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine
SMILESCCNC(CN1CCCCc2ccccc21)C1CCOC1
InChIInChI=1S/C18H28N2O/c1-2-19-17(16-10-12-21-14-16)13-20-11-6-5-8-15-7-3-4-9-18(15)20/h3-4,7,9,16-17,19H,2,5-6,8,10-14H2,1H3
InChIKeyUQWHBJIQLAZOSU-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113447953
2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104745923
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-3,4-dihydroquinolin-2-one
CID 104747148
2-(2,3-dihydroindol-1-yl)-1-(oxolan-3-yl)ethanol
CID 113449076
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione
CID 104747590
N-ethyl-1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65332252
1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 104752968
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]quinolin-2-one
CID 104747727
N-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104747178
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpyrrolidin-2-one
CID 113448456
2-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 113448329
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104748173

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine?
The IUPAC name of N-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine (CID 104746584) is N-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine is CCNC(CN1CCCCc2ccccc21)C1CCOC1.
What is the InChIKey of N-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine?
The InChIKey is UQWHBJIQLAZOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-19-17(16-10-12-21-14-16)13-20-11-6-5-8-15-7-3-4-9-18(15)20/h3-4,7,9,16-17,19H,2,5-6,8,10-14H2,1H3.
What are the key properties of N-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine?
N-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine has a molecular weight of 288.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine is sourced from PubChem (CID 104746584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).