1,3-dimethylimidazolidine;isoquinolin-5-amine

C14H20N4 — CID 142986059

IUPAC1,3-dimethylimidazolidine;isoquinolin-5-amine
SMILESCN1CCN(C)C1.Nc1cccc2cnccc12
InChIInChI=1S/C9H8N2.C5H12N2/c10-9-3-1-2-7-6-11-5-4-8(7)9;1-6-3-4-7(2)5-6/h1-6H,10H2;3-5H2,1-2H3
InChIKeyKZNOEAYYCPMMHU-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.64
Rot. Bonds

About 1,3-dimethylimidazolidine;isoquinolin-5-amine

1,3-dimethylimidazolidine;isoquinolin-5-amine (PubChem CID 142986059) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1,3-dimethylimidazolidine;isoquinolin-5-amine.

Molecular Properties

Compound Name1,3-dimethylimidazolidine;isoquinolin-5-amine
PubChem CID142986059
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1,3-dimethylimidazolidine;isoquinolin-5-amine
SMILESCN1CCN(C)C1.Nc1cccc2cnccc12
InChIInChI=1S/C9H8N2.C5H12N2/c10-9-3-1-2-7-6-11-5-4-8(7)9;1-6-3-4-7(2)5-6/h1-6H,10H2;3-5H2,1-2H3
InChIKeyKZNOEAYYCPMMHU-UHFFFAOYSA-N
XLogP1.64
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylimidazolidine;isoquinolin-5-amine?
The IUPAC name of 1,3-dimethylimidazolidine;isoquinolin-5-amine (CID 142986059) is 1,3-dimethylimidazolidine;isoquinolin-5-amine.
What is the SMILES notation for 1,3-dimethylimidazolidine;isoquinolin-5-amine?
The canonical SMILES for 1,3-dimethylimidazolidine;isoquinolin-5-amine is CN1CCN(C)C1.Nc1cccc2cnccc12.
What is the InChIKey of 1,3-dimethylimidazolidine;isoquinolin-5-amine?
The InChIKey is KZNOEAYYCPMMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C5H12N2/c10-9-3-1-2-7-6-11-5-4-8(7)9;1-6-3-4-7(2)5-6/h1-6H,10H2;3-5H2,1-2H3.
What are the key properties of 1,3-dimethylimidazolidine;isoquinolin-5-amine?
1,3-dimethylimidazolidine;isoquinolin-5-amine has a molecular weight of 244.34 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazolidine;isoquinolin-5-amine is sourced from PubChem (CID 142986059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).