1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine

C16H20N2O — CID 103136814

IUPAC1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine
SMILESCNC(c1cccc2ccncc12)C1CCOC1C
InChIInChI=1S/C16H20N2O/c1-11-13(7-9-19-11)16(17-2)14-5-3-4-12-6-8-18-10-15(12)14/h3-6,8,10-11,13,16-17H,7,9H2,1-2H3
InChIKeyWYEYVDSRKQKJHX-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.92
Rot. Bonds3

About 1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine

1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine (PubChem CID 103136814) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine
PubChem CID103136814
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine
SMILESCNC(c1cccc2ccncc12)C1CCOC1C
InChIInChI=1S/C16H20N2O/c1-11-13(7-9-19-11)16(17-2)14-5-3-4-12-6-8-18-10-15(12)14/h3-6,8,10-11,13,16-17H,7,9H2,1-2H3
InChIKeyWYEYVDSRKQKJHX-UHFFFAOYSA-N
XLogP2.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136425
1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 107005206
[isoquinolin-8-yl(oxolan-2-yl)methyl]hydrazine
CID 103140218
1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103143696
1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79755096
1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103143686
3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103137487
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
isoquinolin-8-yl-(2-methylcyclopropyl)methanamine
CID 103137397
N-methyl-1-(2-methyloxolan-3-yl)-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018149
1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65415186
N-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102709792

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of 1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine (CID 103136814) is 1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for 1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine is CNC(c1cccc2ccncc12)C1CCOC1C.
What is the InChIKey of 1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The InChIKey is WYEYVDSRKQKJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-13(7-9-19-11)16(17-2)14-5-3-4-12-6-8-18-10-15(12)14/h3-6,8,10-11,13,16-17H,7,9H2,1-2H3.
What are the key properties of 1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine has a molecular weight of 256.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 103136814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).