N,N-dimethyl-N'-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimidamide

C15H19N5 — CID 3279769

IUPACN,N-dimethyl-N'-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimidamide
SMILESCN(C)/C=N/c1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C15H19N5/c1-19(2)11-16-14-15(20-9-5-6-10-20)18-13-8-4-3-7-12(13)17-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3/b16-11+
InChIKeyOSWOGUAWTJWKCY-LFIBNONCSA-N
MW269.35 g/mol
LogP2.45
Rot. Bonds3

About N,N-dimethyl-N'-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimidamide

N,N-dimethyl-N'-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimidamide (PubChem CID 3279769) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N,N-dimethyl-N'-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimidamide
PubChem CID3279769
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN,N-dimethyl-N'-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimidamide
SMILESCN(C)/C=N/c1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C15H19N5/c1-19(2)11-16-14-15(20-9-5-6-10-20)18-13-8-4-3-7-12(13)17-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3/b16-11+
InChIKeyOSWOGUAWTJWKCY-LFIBNONCSA-N
XLogP2.45
TPSA44.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimidamide (CID 3279769) is N,N-dimethyl-N'-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimidamide is CN(C)/C=N/c1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of N,N-dimethyl-N'-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimidamide?
The InChIKey is OSWOGUAWTJWKCY-LFIBNONCSA-N. The full InChI is InChI=1S/C15H19N5/c1-19(2)11-16-14-15(20-9-5-6-10-20)18-13-8-4-3-7-12(13)17-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3/b16-11+.
What are the key properties of N,N-dimethyl-N'-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimidamide?
N,N-dimethyl-N'-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimidamide has a molecular weight of 269.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimidamide is sourced from PubChem (CID 3279769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).