1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine

C17H24N2 — CID 55229984

IUPAC1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cccc2cnccc12)C(C)CC
InChIInChI=1S/C17H24N2/c1-4-10-19-17(13(3)5-2)16-8-6-7-14-12-18-11-9-15(14)16/h6-9,11-13,17,19H,4-5,10H2,1-3H3
InChIKeyVCLNPYJYLHEDMG-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.32
Rot. Bonds6

About 1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine

1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine (PubChem CID 55229984) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine
PubChem CID55229984
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cccc2cnccc12)C(C)CC
InChIInChI=1S/C17H24N2/c1-4-10-19-17(13(3)5-2)16-8-6-7-14-12-18-11-9-15(14)16/h6-9,11-13,17,19H,4-5,10H2,1-3H3
InChIKeyVCLNPYJYLHEDMG-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-isoquinolin-5-yl-2-methylbutyl)hydrazine
CID 105219729
N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62814161
1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine
CID 103135847
1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine
CID 103143789
N-(1-isoquinolin-5-yl-2-propan-2-ylsulfanylethyl)propan-1-amine
CID 65132080
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine
CID 103143800
N-[(5-bromofuran-2-yl)-isoquinolin-5-ylmethyl]propan-1-amine
CID 115852979
N-(1-isoquinolin-5-yl-2-propylsulfanylethyl)propan-1-amine
CID 65129160
2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine
CID 63716862
2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine
CID 115856346
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine (CID 55229984) is 1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine is CCCNC(c1cccc2cnccc12)C(C)CC.
What is the InChIKey of 1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine?
The InChIKey is VCLNPYJYLHEDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-10-19-17(13(3)5-2)16-8-6-7-14-12-18-11-9-15(14)16/h6-9,11-13,17,19H,4-5,10H2,1-3H3.
What are the key properties of 1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine?
1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 55229984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).