1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine

C15H18N2O — CID 65330415

IUPAC1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCNC(c1cncc2ccccc12)C1CCOC1
InChIInChI=1S/C15H18N2O/c1-16-15(12-6-7-18-10-12)14-9-17-8-11-4-2-3-5-13(11)14/h2-5,8-9,12,15-16H,6-7,10H2,1H3
InChIKeyBNYDIHPWGKPNNU-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.53
Rot. Bonds3

About 1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine

1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine (PubChem CID 65330415) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine
PubChem CID65330415
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCNC(c1cncc2ccccc12)C1CCOC1
InChIInChI=1S/C15H18N2O/c1-16-15(12-6-7-18-10-12)14-9-17-8-11-4-2-3-5-13(11)14/h2-5,8-9,12,15-16H,6-7,10H2,1H3
InChIKeyBNYDIHPWGKPNNU-UHFFFAOYSA-N
XLogP2.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine?
The IUPAC name of 1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine (CID 65330415) is 1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for 1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine?
The canonical SMILES for 1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine is CNC(c1cncc2ccccc12)C1CCOC1.
What is the InChIKey of 1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine?
The InChIKey is BNYDIHPWGKPNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-16-15(12-6-7-18-10-12)14-9-17-8-11-4-2-3-5-13(11)14/h2-5,8-9,12,15-16H,6-7,10H2,1H3.
What are the key properties of 1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine?
1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine has a molecular weight of 242.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 65330415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).