1-(5-methylhexylamino)isoquinolin-7-ol

C16H22N2O — CID 106539204

IUPAC1-(5-methylhexylamino)isoquinolin-7-ol
SMILESCC(C)CCCCNc1nccc2ccc(O)cc12
InChIInChI=1S/C16H22N2O/c1-12(2)5-3-4-9-17-16-15-11-14(19)7-6-13(15)8-10-18-16/h6-8,10-12,19H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyREHZIFMMSPJBGI-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.18
Rot. Bonds6

About 1-(5-methylhexylamino)isoquinolin-7-ol

1-(5-methylhexylamino)isoquinolin-7-ol (PubChem CID 106539204) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(5-methylhexylamino)isoquinolin-7-ol.

Molecular Properties

Compound Name1-(5-methylhexylamino)isoquinolin-7-ol
PubChem CID106539204
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-(5-methylhexylamino)isoquinolin-7-ol
SMILESCC(C)CCCCNc1nccc2ccc(O)cc12
InChIInChI=1S/C16H22N2O/c1-12(2)5-3-4-9-17-16-15-11-14(19)7-6-13(15)8-10-18-16/h6-8,10-12,19H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyREHZIFMMSPJBGI-UHFFFAOYSA-N
XLogP4.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-hydroxy-2-methylbutyl)amino]isoquinolin-7-ol
CID 106538999
1-[(2-hydroxy-2,4-dimethylpentyl)amino]isoquinolin-7-ol
CID 106539005
N-[2-[(7-hydroxyisoquinolin-1-yl)amino]ethyl]methanesulfonamide
CID 106537595
5-[(7-hydroxyisoquinolin-1-yl)amino]-4-methylpentanoic acid
CID 106536456
1-[(3-chloro-2-methylbutan-2-yl)amino]isoquinolin-7-ol
CID 106543172
3-[2-[(7-hydroxyisoquinolin-1-yl)amino]ethyl]-1,1-dimethylurea
CID 106539324
N,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide
CID 106537734
1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol
CID 106537916
1-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106127613
1-(2,2-dimethylhydrazinyl)isoquinolin-7-ol
CID 106539287
1-[(4-bromo-3-methylbutan-2-yl)amino]isoquinolin-7-ol
CID 106543097
2-[(7-hydroxyisoquinolin-1-yl)amino]-3-methylbutanoic acid
CID 106536074

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexylamino)isoquinolin-7-ol?
The IUPAC name of 1-(5-methylhexylamino)isoquinolin-7-ol (CID 106539204) is 1-(5-methylhexylamino)isoquinolin-7-ol.
What is the SMILES notation for 1-(5-methylhexylamino)isoquinolin-7-ol?
The canonical SMILES for 1-(5-methylhexylamino)isoquinolin-7-ol is CC(C)CCCCNc1nccc2ccc(O)cc12.
What is the InChIKey of 1-(5-methylhexylamino)isoquinolin-7-ol?
The InChIKey is REHZIFMMSPJBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(2)5-3-4-9-17-16-15-11-14(19)7-6-13(15)8-10-18-16/h6-8,10-12,19H,3-5,9H2,1-2H3,(H,17,18).
What are the key properties of 1-(5-methylhexylamino)isoquinolin-7-ol?
1-(5-methylhexylamino)isoquinolin-7-ol has a molecular weight of 258.37 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexylamino)isoquinolin-7-ol is sourced from PubChem (CID 106539204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).