2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide

C15H20N4O — CID 106948362

IUPAC2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1ccc2cnccc2c1N
InChIInChI=1S/C15H20N4O/c1-3-19(4-2)14(20)10-18-13-6-5-11-9-17-8-7-12(11)15(13)16/h5-9,18H,3-4,10,16H2,1-2H3
InChIKeyCDJJHXGIDMAAIH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.10
Rot. Bonds5

About 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide

2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide (PubChem CID 106948362) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide
PubChem CID106948362
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1ccc2cnccc2c1N
InChIInChI=1S/C15H20N4O/c1-3-19(4-2)14(20)10-18-13-6-5-11-9-17-8-7-12(11)15(13)16/h5-9,18H,3-4,10,16H2,1-2H3
InChIKeyCDJJHXGIDMAAIH-UHFFFAOYSA-N
XLogP2.10
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide
CID 106947627
ethyl 4-[(5-aminoisoquinolin-6-yl)amino]butanoate
CID 106948155
3-[(5-aminoisoquinolin-6-yl)amino]-2,2-dimethylpropanamide
CID 106275203
ethyl 2-[(5-aminoisoquinolin-6-yl)amino]propanoate
CID 106947814
6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine
CID 106947959
6-N-[(4-ethylphenyl)methyl]isoquinoline-5,6-diamine
CID 106948521
6-N-(3-ethoxypropyl)isoquinoline-5,6-diamine
CID 106947522
1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol
CID 106948429
1-[(5-aminoisoquinolin-6-yl)amino]-4-methylpentan-2-ol
CID 107151139
6-N-(1,3-thiazol-2-ylmethyl)isoquinoline-5,6-diamine
CID 106947735
5-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141358
6-N-(2,2-dimethylheptyl)isoquinoline-5,6-diamine
CID 106948270

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide (CID 106948362) is 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CNc1ccc2cnccc2c1N.
What is the InChIKey of 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide?
The InChIKey is CDJJHXGIDMAAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-19(4-2)14(20)10-18-13-6-5-11-9-17-8-7-12(11)15(13)16/h5-9,18H,3-4,10,16H2,1-2H3.
What are the key properties of 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide?
2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide has a molecular weight of 272.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminoisoquinolin-6-yl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 106948362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).