5-methoxy-N-pentylisoquinolin-1-amine

C15H20N2O — CID 106537272

IUPAC5-methoxy-N-pentylisoquinolin-1-amine
SMILESCCCCCNc1nccc2c(OC)cccc12
InChIInChI=1S/C15H20N2O/c1-3-4-5-10-16-15-13-7-6-8-14(18-2)12(13)9-11-17-15/h6-9,11H,3-5,10H2,1-2H3,(H,16,17)
InChIKeyRUBMMLCCPACMAB-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.85
Rot. Bonds6

About 5-methoxy-N-pentylisoquinolin-1-amine

5-methoxy-N-pentylisoquinolin-1-amine (PubChem CID 106537272) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-methoxy-N-pentylisoquinolin-1-amine.

Molecular Properties

Compound Name5-methoxy-N-pentylisoquinolin-1-amine
PubChem CID106537272
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-methoxy-N-pentylisoquinolin-1-amine
SMILESCCCCCNc1nccc2c(OC)cccc12
InChIInChI=1S/C15H20N2O/c1-3-4-5-10-16-15-13-7-6-8-14(18-2)12(13)9-11-17-15/h6-9,11H,3-5,10H2,1-2H3,(H,16,17)
InChIKeyRUBMMLCCPACMAB-UHFFFAOYSA-N
XLogP3.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
N-hex-5-ynyl-5-methoxyisoquinolin-1-amine
CID 106214608
5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide
CID 106238801
N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 106537643
5-methoxy-N-(3-methylsulfinylpropyl)isoquinolin-1-amine
CID 106539682
N-[3-[(5-methoxyisoquinolin-1-yl)amino]propyl]methanesulfonamide
CID 106337312
N-but-3-enyl-5-methoxyisoquinolin-1-amine
CID 106539509
N-heptan-2-yl-5-methoxyisoquinolin-1-amine
CID 106538014
N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
CID 106539420
2-[(5-methoxyisoquinolin-1-yl)amino]ethylurea
CID 106539332
N-(2,2-dimethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 107389937
5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine
CID 106538603

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-pentylisoquinolin-1-amine?
The IUPAC name of 5-methoxy-N-pentylisoquinolin-1-amine (CID 106537272) is 5-methoxy-N-pentylisoquinolin-1-amine.
What is the SMILES notation for 5-methoxy-N-pentylisoquinolin-1-amine?
The canonical SMILES for 5-methoxy-N-pentylisoquinolin-1-amine is CCCCCNc1nccc2c(OC)cccc12.
What is the InChIKey of 5-methoxy-N-pentylisoquinolin-1-amine?
The InChIKey is RUBMMLCCPACMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-4-5-10-16-15-13-7-6-8-14(18-2)12(13)9-11-17-15/h6-9,11H,3-5,10H2,1-2H3,(H,16,17).
What are the key properties of 5-methoxy-N-pentylisoquinolin-1-amine?
5-methoxy-N-pentylisoquinolin-1-amine has a molecular weight of 244.34 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-pentylisoquinolin-1-amine is sourced from PubChem (CID 106537272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).