N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine

C13H17N3 — CID 170865869

IUPACN,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine
SMILESCN(C)CCCc1cccc2nccnc12
InChIInChI=1S/C13H17N3/c1-16(2)10-4-6-11-5-3-7-12-13(11)15-9-8-14-12/h3,5,7-9H,4,6,10H2,1-2H3
InChIKeyQPFNEXHIFGNHOY-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.12
Rot. Bonds4

About N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine

N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine (PubChem CID 170865869) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine
PubChem CID170865869
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine
SMILESCN(C)CCCc1cccc2nccnc12
InChIInChI=1S/C13H17N3/c1-16(2)10-4-6-11-5-3-7-12-13(11)15-9-8-14-12/h3,5,7-9H,4,6,10H2,1-2H3
InChIKeyQPFNEXHIFGNHOY-UHFFFAOYSA-N
XLogP2.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine
CID 104614230
2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine
CID 104614216
2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol
CID 170865710
3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866694
N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine
CID 104614269
3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170865770
2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine
CID 113433192
3-[3-(dimethylamino)propyl]-N,N-dimethylquinolin-2-amine
CID 170866839
3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine
CID 163375747
N,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine
CID 170866716
N-(quinoxalin-5-ylmethyl)butan-2-amine
CID 104614226
3-(2-chloro-8-ethylquinolin-3-yl)-N,N-dimethylpropan-1-amine
CID 170866831

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine?
The IUPAC name of N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine (CID 170865869) is N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine is CN(C)CCCc1cccc2nccnc12.
What is the InChIKey of N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine?
The InChIKey is QPFNEXHIFGNHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-16(2)10-4-6-11-5-3-7-12-13(11)15-9-8-14-12/h3,5,7-9H,4,6,10H2,1-2H3.
What are the key properties of N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine?
N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine is sourced from PubChem (CID 170865869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).