2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine

C18H26N2 — CID 115856346

IUPAC2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine
SMILESCCCNC(c1cncc2ccccc12)C(CC)CC
InChIInChI=1S/C18H26N2/c1-4-11-20-18(14(5-2)6-3)17-13-19-12-15-9-7-8-10-16(15)17/h7-10,12-14,18,20H,4-6,11H2,1-3H3
InChIKeyRRWGXPWYPTZLFM-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.71
Rot. Bonds7

About 2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine

2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine (PubChem CID 115856346) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine
PubChem CID115856346
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine
SMILESCCCNC(c1cncc2ccccc12)C(CC)CC
InChIInChI=1S/C18H26N2/c1-4-11-20-18(14(5-2)6-3)17-13-19-12-15-9-7-8-10-16(15)17/h7-10,12-14,18,20H,4-6,11H2,1-3H3
InChIKeyRRWGXPWYPTZLFM-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-isoquinolin-4-yl-2,2-dimethoxyethyl)propan-1-amine
CID 79492792
(2-ethyl-1-isoquinolin-4-ylbutyl)hydrazine
CID 105306338
1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine
CID 63939204
2-isoquinolin-4-yl-2-(propylamino)acetic acid
CID 104504256
1-isoquinolin-4-yl-4-methyl-N-propylpentan-1-amine
CID 63940553
2-ethyl-1-isoquinolin-4-ylbutan-1-amine
CID 115856307
N-(2-butan-2-ylsulfanyl-1-isoquinolin-4-ylethyl)propan-1-amine
CID 65140966
1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine
CID 55229984
N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine
CID 63939788
1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine
CID 106692647
N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 115856200
1-isoquinolin-4-ylpentan-1-ol
CID 63938213

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine (CID 115856346) is 2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine is CCCNC(c1cncc2ccccc12)C(CC)CC.
What is the InChIKey of 2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine?
The InChIKey is RRWGXPWYPTZLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-4-11-20-18(14(5-2)6-3)17-13-19-12-15-9-7-8-10-16(15)17/h7-10,12-14,18,20H,4-6,11H2,1-3H3.
What are the key properties of 2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine?
2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine is sourced from PubChem (CID 115856346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).