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

C17H22N2O — CID 115853007

IUPAC1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)c1cccc2cnccc12
InChIInChI=1S/C17H22N2O/c1-18-17(8-7-14-5-3-11-20-14)16-6-2-4-13-12-19-10-9-15(13)16/h2,4,6,9-10,12,14,17-18H,3,5,7-8,11H2,1H3
InChIKeyUNOWSGDZOBOWOI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.45
Rot. Bonds5

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

1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 115853007) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID115853007
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)c1cccc2cnccc12
InChIInChI=1S/C17H22N2O/c1-18-17(8-7-14-5-3-11-20-14)16-6-2-4-13-12-19-10-9-15(13)16/h2,4,6,9-10,12,14,17-18H,3,5,7-8,11H2,1H3
InChIKeyUNOWSGDZOBOWOI-UHFFFAOYSA-N
XLogP3.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine
CID 115853074
1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115856332
N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
CID 65167446
3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103137487
1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 114024223
N-(isoquinolin-5-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 62824788
2-cyclohexylsulfanyl-1-isoquinolin-5-yl-N-methylethanamine
CID 65139457
3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine
CID 105143514
N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine
CID 66272484
N-(oxolan-2-ylmethyl)isoquinolin-5-amine
CID 82834072
1-[2-(difluoromethoxy)phenyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993696
N-methyl-3-(oxolan-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-amine
CID 103127433

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine (CID 115853007) is 1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine is CNC(CCC1CCCO1)c1cccc2cnccc12.
What is the InChIKey of 1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is UNOWSGDZOBOWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-17(8-7-14-5-3-11-20-14)16-6-2-4-13-12-19-10-9-15(13)16/h2,4,6,9-10,12,14,17-18H,3,5,7-8,11H2,1H3.
What are the key properties of 1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine?
1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 115853007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).