1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine

C16H22N2 — CID 103135847

IUPAC1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1cccc2ccncc12)C(C)C
InChIInChI=1S/C16H22N2/c1-4-9-18-16(12(2)3)14-7-5-6-13-8-10-17-11-15(13)14/h5-8,10-12,16,18H,4,9H2,1-3H3
InChIKeyPZHNYPKMPCUUSK-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.93
Rot. Bonds5

About 1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine

1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine (PubChem CID 103135847) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine
PubChem CID103135847
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1cccc2ccncc12)C(C)C
InChIInChI=1S/C16H22N2/c1-4-9-18-16(12(2)3)14-7-5-6-13-8-10-17-11-15(13)14/h5-8,10-12,16,18H,4,9H2,1-3H3
InChIKeyPZHNYPKMPCUUSK-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine
CID 103143789
1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine
CID 103143800
1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine
CID 55229984
N-[isoquinolin-8-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 103137707
3-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103132486
N-ethyl-1-isoquinolin-8-yl-2-propylpentan-1-amine
CID 103138048
1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 105078256
N-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 103137787
4,4,4-trifluoro-1-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103136036
N-(2-butan-2-ylsulfanyl-1-isoquinolin-8-ylethyl)propan-1-amine
CID 103143600
2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine
CID 103143806
N-[(5-bromofuran-2-yl)-isoquinolin-8-ylmethyl]propan-1-amine
CID 103136300

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine (CID 103135847) is 1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine is CCCNC(c1cccc2ccncc12)C(C)C.
What is the InChIKey of 1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine?
The InChIKey is PZHNYPKMPCUUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-9-18-16(12(2)3)14-7-5-6-13-8-10-17-11-15(13)14/h5-8,10-12,16,18H,4,9H2,1-3H3.
What are the key properties of 1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine?
1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 103135847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).