isoquinolin-1-yl(oxan-3-yl)methanamine

C15H18N2O — CID 107136367

IUPACisoquinolin-1-yl(oxan-3-yl)methanamine
SMILESNC(c1nccc2ccccc12)C1CCCOC1
InChIInChI=1S/C15H18N2O/c16-14(12-5-3-9-18-10-12)15-13-6-2-1-4-11(13)7-8-17-15/h1-2,4,6-8,12,14H,3,5,9-10,16H2
InChIKeyQAZNLKDCBAQSPV-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.66
Rot. Bonds2

About isoquinolin-1-yl(oxan-3-yl)methanamine

isoquinolin-1-yl(oxan-3-yl)methanamine (PubChem CID 107136367) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is isoquinolin-1-yl(oxan-3-yl)methanamine.

Molecular Properties

Compound Nameisoquinolin-1-yl(oxan-3-yl)methanamine
PubChem CID107136367
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Nameisoquinolin-1-yl(oxan-3-yl)methanamine
SMILESNC(c1nccc2ccccc12)C1CCCOC1
InChIInChI=1S/C15H18N2O/c16-14(12-5-3-9-18-10-12)15-13-6-2-1-4-11(13)7-8-17-15/h1-2,4,6-8,12,14H,3,5,9-10,16H2
InChIKeyQAZNLKDCBAQSPV-UHFFFAOYSA-N
XLogP2.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-4-yl(oxan-3-yl)methanamine
CID 65331748
2-cyclopentyl-1-isoquinolin-1-ylethanamine
CID 63950469
oxan-3-yl(quinolin-7-yl)methanamine
CID 81231409
1H-indol-3-yl(oxan-3-yl)methanamine
CID 112742639
2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine
CID 107136473
(2-cyclobutyl-1-isoquinolin-1-ylethyl)hydrazine
CID 105220628
(2-methoxyphenyl)-(oxan-3-yl)methanamine
CID 65331854
bis(oxan-3-yl)methanamine
CID 107136437
N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine
CID 107138702
N-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine
CID 63948456
2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine
CID 79561076
[1-(oxan-3-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105229826

Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl(oxan-3-yl)methanamine?
The IUPAC name of isoquinolin-1-yl(oxan-3-yl)methanamine (CID 107136367) is isoquinolin-1-yl(oxan-3-yl)methanamine.
What is the SMILES notation for isoquinolin-1-yl(oxan-3-yl)methanamine?
The canonical SMILES for isoquinolin-1-yl(oxan-3-yl)methanamine is NC(c1nccc2ccccc12)C1CCCOC1.
What is the InChIKey of isoquinolin-1-yl(oxan-3-yl)methanamine?
The InChIKey is QAZNLKDCBAQSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-14(12-5-3-9-18-10-12)15-13-6-2-1-4-11(13)7-8-17-15/h1-2,4,6-8,12,14H,3,5,9-10,16H2.
What are the key properties of isoquinolin-1-yl(oxan-3-yl)methanamine?
isoquinolin-1-yl(oxan-3-yl)methanamine has a molecular weight of 242.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-yl(oxan-3-yl)methanamine is sourced from PubChem (CID 107136367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).