1-isoquinolin-8-yl-N-methylbutan-1-amine

C14H18N2 — CID 103136371

IUPAC1-isoquinolin-8-yl-N-methylbutan-1-amine
SMILESCCCC(NC)c1cccc2ccncc12
InChIInChI=1S/C14H18N2/c1-3-5-14(15-2)12-7-4-6-11-8-9-16-10-13(11)12/h4,6-10,14-15H,3,5H2,1-2H3
InChIKeyMEYLSTNTHIWYGB-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.30
Rot. Bonds4

About 1-isoquinolin-8-yl-N-methylbutan-1-amine

1-isoquinolin-8-yl-N-methylbutan-1-amine (PubChem CID 103136371) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-8-yl-N-methylbutan-1-amine
PubChem CID103136371
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-isoquinolin-8-yl-N-methylbutan-1-amine
SMILESCCCC(NC)c1cccc2ccncc12
InChIInChI=1S/C14H18N2/c1-3-5-14(15-2)12-7-4-6-11-8-9-16-10-13(11)12/h4,6-10,14-15H,3,5H2,1-2H3
InChIKeyMEYLSTNTHIWYGB-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-8-yl-N-methylheptan-1-amine
CID 103137970
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103137487
1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine
CID 103143798
N-ethyl-1-isoquinolin-8-yl-2-propylpentan-1-amine
CID 103138048
1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine
CID 103135986
4,4,4-trifluoro-1-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103136036
1-isoquinolin-8-yl-2-methylpentan-1-ol
CID 103139250
1-isoquinolin-8-ylpentan-1-ol
CID 103138987
1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
CID 103136230
3-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103132486
(3-ethoxy-1-isoquinolin-8-ylpropyl)hydrazine
CID 103141619

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-N-methylbutan-1-amine?
The IUPAC name of 1-isoquinolin-8-yl-N-methylbutan-1-amine (CID 103136371) is 1-isoquinolin-8-yl-N-methylbutan-1-amine.
What is the SMILES notation for 1-isoquinolin-8-yl-N-methylbutan-1-amine?
The canonical SMILES for 1-isoquinolin-8-yl-N-methylbutan-1-amine is CCCC(NC)c1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-yl-N-methylbutan-1-amine?
The InChIKey is MEYLSTNTHIWYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-5-14(15-2)12-7-4-6-11-8-9-16-10-13(11)12/h4,6-10,14-15H,3,5H2,1-2H3.
What are the key properties of 1-isoquinolin-8-yl-N-methylbutan-1-amine?
1-isoquinolin-8-yl-N-methylbutan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-N-methylbutan-1-amine is sourced from PubChem (CID 103136371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).