4-isoquinolin-8-ylbutan-1-amine

C13H16N2 — CID 82577641

IUPAC4-isoquinolin-8-ylbutan-1-amine
SMILESNCCCCc1cccc2ccncc12
InChIInChI=1S/C13H16N2/c14-8-2-1-4-11-5-3-6-12-7-9-15-10-13(11)12/h3,5-7,9-10H,1-2,4,8,14H2
InChIKeyGDEJYRVWVUAZIN-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.52
Rot. Bonds4

About 4-isoquinolin-8-ylbutan-1-amine

4-isoquinolin-8-ylbutan-1-amine (PubChem CID 82577641) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 4-isoquinolin-8-ylbutan-1-amine.

Molecular Properties

Compound Name4-isoquinolin-8-ylbutan-1-amine
PubChem CID82577641
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name4-isoquinolin-8-ylbutan-1-amine
SMILESNCCCCc1cccc2ccncc12
InChIInChI=1S/C13H16N2/c14-8-2-1-4-11-5-3-6-12-7-9-15-10-13(11)12/h3,5-7,9-10H,1-2,4,8,14H2
InChIKeyGDEJYRVWVUAZIN-UHFFFAOYSA-N
XLogP2.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

isoquinolin-8-ylmethanamine;dihydrochloride
CID 42614394
8-naphthalen-1-yloctan-1-amine
CID 100987116
3-amino-1-isoquinolin-8-ylpropan-1-one
CID 103132952
4-isoquinolin-8-ylbutan-2-one
CID 103144158
4-(3-isoquinolin-8-ylpropyl)morpholine
CID 170870005
isoquinolin-8-ol
CID 135441711
1-isoquinolin-8-ylpentan-3-one
CID 103144159
4-isoquinolin-1-ylbutan-1-amine
CID 57124136
1-cyclopropyl-3-isoquinolin-8-ylpropan-1-ol
CID 103140859
8-(3-chloro-4,4-dimethylpentyl)isoquinoline
CID 103140904
3-(4-aminobutyl)-2-methoxyphenol
CID 117285526
N-(3-isoquinolin-5-ylpropyl)thiohydroxylamine
CID 87755236

Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-8-ylbutan-1-amine?
The IUPAC name of 4-isoquinolin-8-ylbutan-1-amine (CID 82577641) is 4-isoquinolin-8-ylbutan-1-amine.
What is the SMILES notation for 4-isoquinolin-8-ylbutan-1-amine?
The canonical SMILES for 4-isoquinolin-8-ylbutan-1-amine is NCCCCc1cccc2ccncc12.
What is the InChIKey of 4-isoquinolin-8-ylbutan-1-amine?
The InChIKey is GDEJYRVWVUAZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c14-8-2-1-4-11-5-3-6-12-7-9-15-10-13(11)12/h3,5-7,9-10H,1-2,4,8,14H2.
What are the key properties of 4-isoquinolin-8-ylbutan-1-amine?
4-isoquinolin-8-ylbutan-1-amine has a molecular weight of 200.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isoquinolin-8-ylbutan-1-amine is sourced from PubChem (CID 82577641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).