isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine

C15H18N2O — CID 115853236

IUPACisoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine
SMILESCC1CCOC1C(N)c1cccc2cnccc12
InChIInChI=1S/C15H18N2O/c1-10-6-8-18-15(10)14(16)13-4-2-3-11-9-17-7-5-12(11)13/h2-5,7,9-10,14-15H,6,8,16H2,1H3
InChIKeyNKUJRIHAIXPTQQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.66
Rot. Bonds2

About isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine

isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine (PubChem CID 115853236) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Nameisoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine
PubChem CID115853236
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Nameisoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine
SMILESCC1CCOC1C(N)c1cccc2cnccc12
InChIInChI=1S/C15H18N2O/c1-10-6-8-18-15(10)14(16)13-4-2-3-11-9-17-7-5-12(11)13/h2-5,7,9-10,14-15H,6,8,16H2,1H3
InChIKeyNKUJRIHAIXPTQQ-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-5-yl-(4-propan-2-ylcyclohexyl)methanamine
CID 65425147
isoquinolin-5-yl-(4-methylmorpholin-2-yl)methanamine
CID 79092758
1,4-dioxan-2-yl(isoquinolin-5-yl)methanamine
CID 65352259
(4-ethylmorpholin-2-yl)-isoquinolin-5-ylmethanamine
CID 79666525
2,3-dihydro-1H-inden-1-yl(isoquinolin-5-yl)methanamine
CID 65405520
(2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115801779
isoquinolin-8-yl-(2-methylcyclopropyl)methanamine
CID 103137397
1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine
CID 115853074
2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine
CID 116721851
[isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine
CID 105229147
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 115856200

Frequently Asked Questions

What is the IUPAC name of isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine?
The IUPAC name of isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine (CID 115853236) is isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine.
What is the SMILES notation for isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine?
The canonical SMILES for isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine is CC1CCOC1C(N)c1cccc2cnccc12.
What is the InChIKey of isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine?
The InChIKey is NKUJRIHAIXPTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-6-8-18-15(10)14(16)13-4-2-3-11-9-17-7-5-12(11)13/h2-5,7,9-10,14-15H,6,8,16H2,1H3.
What are the key properties of isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine?
isoquinolin-5-yl-(3-methyloxolan-2-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-5-yl-(3-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 115853236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).