6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine

C15H22N4 — CID 106947959

IUPAC6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine
SMILESCN(C)CCCCNc1ccc2cnccc2c1N
InChIInChI=1S/C15H22N4/c1-19(2)10-4-3-8-18-14-6-5-12-11-17-9-7-13(12)15(14)16/h5-7,9,11,18H,3-4,8,10,16H2,1-2H3
InChIKeyWISALGCILDZSOA-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.57
Rot. Bonds6

About 6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine

6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine (PubChem CID 106947959) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine
PubChem CID106947959
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine
SMILESCN(C)CCCCNc1ccc2cnccc2c1N
InChIInChI=1S/C15H22N4/c1-19(2)10-4-3-8-18-14-6-5-12-11-17-9-7-13(12)15(14)16/h5-7,9,11,18H,3-4,8,10,16H2,1-2H3
InChIKeyWISALGCILDZSOA-UHFFFAOYSA-N
XLogP2.57
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N-(3-ethoxypropyl)isoquinoline-5,6-diamine
CID 106947522
2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide
CID 106947627
6-N-[4-(dimethylamino)butan-2-yl]isoquinoline-5,6-diamine
CID 106947839
ethyl 4-[(5-aminoisoquinolin-6-yl)amino]butanoate
CID 106948155
2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide
CID 106948362
6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine
CID 106947835
2-N-[3-(dimethylamino)propyl]pyrido[3,4-g]quinazoline-2,10-diamine
CID 162657986
6-N-[(4-ethylphenyl)methyl]isoquinoline-5,6-diamine
CID 106948521
6-N-[2-(1-methylimidazol-2-yl)ethyl]isoquinoline-5,6-diamine
CID 106947957
5-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141358
6-N-(2,2-dimethylheptyl)isoquinoline-5,6-diamine
CID 106948270
3-[(5-aminoisoquinolin-6-yl)amino]-2,2-dimethylpropanamide
CID 106275203

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine?
The IUPAC name of 6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine (CID 106947959) is 6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine.
What is the SMILES notation for 6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine?
The canonical SMILES for 6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine is CN(C)CCCCNc1ccc2cnccc2c1N.
What is the InChIKey of 6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine?
The InChIKey is WISALGCILDZSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-19(2)10-4-3-8-18-14-6-5-12-11-17-9-7-13(12)15(14)16/h5-7,9,11,18H,3-4,8,10,16H2,1-2H3.
What are the key properties of 6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine?
6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine is sourced from PubChem (CID 106947959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).