4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol

C15H20N2O — CID 107038561

IUPAC4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol
SMILESCC(CCO)CNCc1ccc2cnccc2c1
InChIInChI=1S/C15H20N2O/c1-12(5-7-18)9-17-10-13-2-3-15-11-16-6-4-14(15)8-13/h2-4,6,8,11-12,17-18H,5,7,9-10H2,1H3
InChIKeySMYIMPAPJPDNMQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.34
Rot. Bonds6

About 4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol

4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol (PubChem CID 107038561) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol
PubChem CID107038561
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol
SMILESCC(CCO)CNCc1ccc2cnccc2c1
InChIInChI=1S/C15H20N2O/c1-12(5-7-18)9-17-10-13-2-3-15-11-16-6-4-14(15)8-13/h2-4,6,8,11-12,17-18H,5,7,9-10H2,1H3
InChIKeySMYIMPAPJPDNMQ-UHFFFAOYSA-N
XLogP2.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine
CID 107166793
3-(isoquinolin-6-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106349273
1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 107037727
N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 107038742
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
4-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzene-1,2-diol
CID 66090122
2-[(isoquinolin-7-ylmethylamino)methyl]butanoic acid
CID 166265909
3-(isoquinolin-6-ylmethylamino)-N-(2-methylpropyl)propanamide
CID 107038893
2-(isoquinolin-6-ylmethylamino)-N-methylacetamide
CID 107037794
4-[(4-bromo-3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 103581768
4-[(4-bromo-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 81002997
methyl (2S)-2-(isoquinolin-6-ylmethylamino)propanoate
CID 107037943

Frequently Asked Questions

What is the IUPAC name of 4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol?
The IUPAC name of 4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol (CID 107038561) is 4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol?
The canonical SMILES for 4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol is CC(CCO)CNCc1ccc2cnccc2c1.
What is the InChIKey of 4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol?
The InChIKey is SMYIMPAPJPDNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(5-7-18)9-17-10-13-2-3-15-11-16-6-4-14(15)8-13/h2-4,6,8,11-12,17-18H,5,7,9-10H2,1H3.
What are the key properties of 4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol?
4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol has a molecular weight of 244.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 107038561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).