(4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C15H20N2O2 — CID 163402060

IUPAC(4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESNC1CCOC(C(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C15H20N2O2/c16-13-6-8-19-14(9-13)15(18)17-7-5-11-3-1-2-4-12(11)10-17/h1-4,13-14H,5-10,16H2
InChIKeyYKTBGICJCZIWMM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.08
Rot. Bonds1

About (4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

(4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 163402060) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID163402060
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESNC1CCOC(C(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C15H20N2O2/c16-13-6-8-19-14(9-13)15(18)17-7-5-11-3-1-2-4-12(11)10-17/h1-4,13-14H,5-10,16H2
InChIKeyYKTBGICJCZIWMM-UHFFFAOYSA-N
XLogP1.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 66030477
3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone
CID 172881377
2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104855979
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 17127006
3,4-dihydro-1H-isoquinolin-2-yl-(4-pent-4-enylmorpholin-2-yl)methanone
CID 172881420
2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 43556488
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 4688630
[(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 124515765
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034276
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 81491436
[4-(2,1,3-benzothiadiazole-5-carbonyl)morpholin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110246660

Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 163402060) is (4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is NC1CCOC(C(=O)N2CCc3ccccc3C2)C1.
What is the InChIKey of (4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is YKTBGICJCZIWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-13-6-8-19-14(9-13)15(18)17-7-5-11-3-1-2-4-12(11)10-17/h1-4,13-14H,5-10,16H2.
What are the key properties of (4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 163402060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).