1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine

C16H20N2O — CID 115853074

IUPAC1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine
SMILESNC(CCC1CCCO1)c1cccc2cnccc12
InChIInChI=1S/C16H20N2O/c17-16(7-6-13-4-2-10-19-13)15-5-1-3-12-11-18-9-8-14(12)15/h1,3,5,8-9,11,13,16H,2,4,6-7,10,17H2
InChIKeyOYXFCPLZHOAHLK-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.19
Rot. Bonds4

About 1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine

1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 115853074) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine
PubChem CID115853074
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine
SMILESNC(CCC1CCCO1)c1cccc2cnccc12
InChIInChI=1S/C16H20N2O/c17-16(7-6-13-4-2-10-19-13)15-5-1-3-12-11-18-9-8-14(12)15/h1,3,5,8-9,11,13,16H,2,4,6-7,10,17H2
InChIKeyOYXFCPLZHOAHLK-UHFFFAOYSA-N
XLogP3.19
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115853007
3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine
CID 103136749
N-(isoquinolin-5-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 62824788
[isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine
CID 105229147
N-(oxolan-2-ylmethyl)isoquinolin-5-amine
CID 82834072
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine
CID 105035854
1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115856332
isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine
CID 115853236
N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine
CID 79086923
1-(4-chloronaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine
CID 79591927
1-(4-bromonaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine
CID 79589897

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine (CID 115853074) is 1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine is NC(CCC1CCCO1)c1cccc2cnccc12.
What is the InChIKey of 1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is OYXFCPLZHOAHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-16(7-6-13-4-2-10-19-13)15-5-1-3-12-11-18-9-8-14(12)15/h1,3,5,8-9,11,13,16H,2,4,6-7,10,17H2.
What are the key properties of 1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine?
1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 115853074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).