1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine

C17H24N2 — CID 63939204

IUPAC1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1cncc2ccccc12
InChIInChI=1S/C17H24N2/c1-4-9-19-17(10-13(2)3)16-12-18-11-14-7-5-6-8-15(14)16/h5-8,11-13,17,19H,4,9-10H2,1-3H3
InChIKeyYSSVWQUSYLXZFO-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.32
Rot. Bonds6

About 1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine

1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine (PubChem CID 63939204) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine
PubChem CID63939204
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1cncc2ccccc12
InChIInChI=1S/C17H24N2/c1-4-9-19-17(10-13(2)3)16-12-18-11-14-7-5-6-8-15(14)16/h5-8,11-13,17,19H,4,9-10H2,1-3H3
InChIKeyYSSVWQUSYLXZFO-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

N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine
CID 63939203
1-isoquinolin-4-yl-4-methyl-N-propylpentan-1-amine
CID 63940553
3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine
CID 55188123
N-(2-butan-2-ylsulfanyl-1-isoquinolin-4-ylethyl)propan-1-amine
CID 65140966
2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine
CID 115856346
N-(1-isoquinolin-4-yl-2,2-dimethoxyethyl)propan-1-amine
CID 79492792
2-isoquinolin-4-yl-2-(propylamino)acetic acid
CID 104504256
1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
CID 79596816
N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
CID 62715882
2-isoquinolin-4-yl-2-(2-methoxyethylamino)ethanol
CID 104504739
1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
CID 43494411
N-ethyl-1-isoquinolin-4-ylbut-3-en-1-amine
CID 116660847

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine (CID 63939204) is 1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)C)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine?
The InChIKey is YSSVWQUSYLXZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-9-19-17(10-13(2)3)16-12-18-11-14-7-5-6-8-15(14)16/h5-8,11-13,17,19H,4,9-10H2,1-3H3.
What are the key properties of 1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine?
1-isoquinolin-4-yl-3-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-4-yl-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 63939204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).