1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine

C18H24N2O — CID 115856332

IUPAC1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCCO1)c1cncc2ccccc12
InChIInChI=1S/C18H24N2O/c1-19-18(10-9-15-7-4-5-11-21-15)17-13-20-12-14-6-2-3-8-16(14)17/h2-3,6,8,12-13,15,18-19H,4-5,7,9-11H2,1H3
InChIKeyQJLOSHMAMIFBRZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.84
Rot. Bonds5

About 1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine

1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine (PubChem CID 115856332) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine
PubChem CID115856332
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCCO1)c1cncc2ccccc12
InChIInChI=1S/C18H24N2O/c1-19-18(10-9-15-7-4-5-11-21-15)17-13-20-12-14-6-2-3-8-16(14)17/h2-3,6,8,12-13,15,18-19H,4-5,7,9-11H2,1H3
InChIKeyQJLOSHMAMIFBRZ-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.84
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
1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115828162
N-(isoquinolin-4-ylmethyl)-2-(oxan-2-yl)ethanamine
CID 103992913
N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 114755171
N-methyl-3-(oxolan-2-yl)-1-quinolin-3-ylpropan-1-amine
CID 115797860
N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
CID 65167446
3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine
CID 105147383
1-isoquinolin-4-yl-3-(oxan-2-yl)propan-1-one
CID 114971970
1-[2-(difluoromethoxy)phenyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993696
N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 103127434
1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine
CID 115853074
1-isoquinolin-4-yl-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104504094

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine (CID 115856332) is 1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine is CNC(CCC1CCCCO1)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine?
The InChIKey is QJLOSHMAMIFBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-19-18(10-9-15-7-4-5-11-21-15)17-13-20-12-14-6-2-3-8-16(14)17/h2-3,6,8,12-13,15,18-19H,4-5,7,9-11H2,1H3.
What are the key properties of 1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine?
1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.84, 5 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-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 115856332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).