2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide

C15H20N4O — CID 102713092

IUPAC2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccc(N)c2cnc(C)cc12
InChIInChI=1S/C15H20N4O/c1-4-19(9-15(20)17-3)14-6-5-13(16)12-8-18-10(2)7-11(12)14/h5-8H,4,9,16H2,1-3H3,(H,17,20)
InChIKeyCPBUWNSSOHMULM-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.70
Rot. Bonds4

About 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide

2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide (PubChem CID 102713092) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide
PubChem CID102713092
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccc(N)c2cnc(C)cc12
InChIInChI=1S/C15H20N4O/c1-4-19(9-15(20)17-3)14-6-5-13(16)12-8-18-10(2)7-11(12)14/h5-8H,4,9,16H2,1-3H3,(H,17,20)
InChIKeyCPBUWNSSOHMULM-UHFFFAOYSA-N
XLogP1.70
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.70
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-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N,N-dimethylacetamide
CID 102713102
2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]ethanol
CID 102713127
2-[(8-amino-3-methylisoquinolin-5-yl)-butylamino]acetamide
CID 102713247
5-N-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)isoquinoline-5,8-diamine
CID 102713250
5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine
CID 102712896
2-[(8-amino-3-methylisoquinolin-5-yl)-methylamino]ethanol
CID 102713026
2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide
CID 103137754
2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide
CID 80652125
5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 114090177
2-[(3-amino-6-bromoquinolin-4-yl)-ethylamino]-N-methylacetamide
CID 43621357
5-N,3-dimethyl-5-N-(3-methylbutyl)isoquinoline-5,8-diamine
CID 102713155
5-N-benzyl-5-N,3-dimethylisoquinoline-5,8-diamine
CID 102712904

Frequently Asked Questions

What is the IUPAC name of 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide (CID 102713092) is 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)c1ccc(N)c2cnc(C)cc12.
What is the InChIKey of 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide?
The InChIKey is CPBUWNSSOHMULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-19(9-15(20)17-3)14-6-5-13(16)12-8-18-10(2)7-11(12)14/h5-8H,4,9,16H2,1-3H3,(H,17,20).
What are the key properties of 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide?
2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide has a molecular weight of 272.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N-methylacetamide is sourced from PubChem (CID 102713092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).