1-[(5-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol

C17H24N2O2 — CID 106539007

IUPAC1-[(5-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCOc1cccc2c(NCC(C)(O)CC(C)C)nccc12
InChIInChI=1S/C17H24N2O2/c1-12(2)10-17(3,20)11-19-16-14-6-5-7-15(21-4)13(14)8-9-18-16/h5-9,12,20H,10-11H2,1-4H3,(H,18,19)
InChIKeyYEPDYPCILRZQLJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.45
Rot. Bonds6

About 1-[(5-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol

1-[(5-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 106539007) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(5-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(5-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol
PubChem CID106539007
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[(5-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCOc1cccc2c(NCC(C)(O)CC(C)C)nccc12
InChIInChI=1S/C17H24N2O2/c1-12(2)10-17(3,20)11-19-16-14-6-5-7-15(21-4)13(14)8-9-18-16/h5-9,12,20H,10-11H2,1-4H3,(H,18,19)
InChIKeyYEPDYPCILRZQLJ-UHFFFAOYSA-N
XLogP3.45
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(5-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-[(6-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol
CID 106539008
1-N-(5-methoxyisoquinolin-1-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159175
N-(2,2-dimethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 107389937
5-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine
CID 106539648
N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
1-[(2-hydroxy-2,4-dimethylpentyl)amino]isoquinolin-7-ol
CID 106539005
1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66179073
5-methoxy-N-pentylisoquinolin-1-amine
CID 106537272
5-methoxy-N-pentan-3-ylisoquinolin-1-amine
CID 106537189
N-but-3-enyl-5-methoxyisoquinolin-1-amine
CID 106539509
N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 106537643
2-[(5-methoxyisoquinolin-1-yl)amino]ethylurea
CID 106539332

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(5-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol (CID 106539007) is 1-[(5-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(5-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(5-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol is COc1cccc2c(NCC(C)(O)CC(C)C)nccc12.
What is the InChIKey of 1-[(5-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is YEPDYPCILRZQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)10-17(3,20)11-19-16-14-6-5-7-15(21-4)13(14)8-9-18-16/h5-9,12,20H,10-11H2,1-4H3,(H,18,19).
What are the key properties of 1-[(5-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol?
1-[(5-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 288.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxyisoquinolin-1-yl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 106539007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).