N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine

C18H19N3 — CID 62814161

IUPACN-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1cccc2cnccc12
InChIInChI=1S/C18H19N3/c1-2-9-21-18(14-6-10-19-11-7-14)17-5-3-4-15-13-20-12-8-16(15)17/h3-8,10-13,18,21H,2,9H2,1H3
InChIKeyOTGPISHCKJTABV-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.72
Rot. Bonds5

About N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine

N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine (PubChem CID 62814161) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine
PubChem CID62814161
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1cccc2cnccc12
InChIInChI=1S/C18H19N3/c1-2-9-21-18(14-6-10-19-11-7-14)17-5-3-4-15-13-20-12-8-16(15)17/h3-8,10-13,18,21H,2,9H2,1H3
InChIKeyOTGPISHCKJTABV-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[naphthalen-1-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62790694
N-[(5-iodothiophen-3-yl)-isoquinolin-5-ylmethyl]propan-1-amine
CID 115853076
N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine
CID 105143467
1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine
CID 55229984
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[(5-bromofuran-2-yl)-isoquinolin-5-ylmethyl]propan-1-amine
CID 115852979
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[isoquinolin-8-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 103137707
N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62790171
N-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine
CID 65132080
N-(1-isoquinolin-5-yl-2-propylsulfanylethyl)propan-1-amine
CID 65129160
N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62802224

Frequently Asked Questions

What is the IUPAC name of N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine (CID 62814161) is N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine is CCCNC(c1ccncc1)c1cccc2cnccc12.
What is the InChIKey of N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine?
The InChIKey is OTGPISHCKJTABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-9-21-18(14-6-10-19-11-7-14)17-5-3-4-15-13-20-12-8-16(15)17/h3-8,10-13,18,21H,2,9H2,1H3.
What are the key properties of N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine?
N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine has a molecular weight of 277.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 62814161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).