3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol

C16H23N3O — CID 103705127

IUPAC3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc2ccccc2nc1C
InChIInChI=1S/C16H23N3O/c1-3-6-13(9-10-20)11-17-16-12(2)18-14-7-4-5-8-15(14)19-16/h4-5,7-8,13,20H,3,6,9-11H2,1-2H3,(H,17,19)
InChIKeyFKGFPUCSYJVHMH-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.15
Rot. Bonds7

About 3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol

3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol (PubChem CID 103705127) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol
PubChem CID103705127
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc2ccccc2nc1C
InChIInChI=1S/C16H23N3O/c1-3-6-13(9-10-20)11-17-16-12(2)18-14-7-4-5-8-15(14)19-16/h4-5,7-8,13,20H,3,6,9-11H2,1-2H3,(H,17,19)
InChIKeyFKGFPUCSYJVHMH-UHFFFAOYSA-N
XLogP3.15
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine
CID 102913999
3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118514
3-methyl-N-pentan-2-ylquinoxalin-2-amine
CID 60734285
3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106115743
3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol
CID 104924549
3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 103705117
3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106118681
N-(3-methoxy-2-methylpropyl)-3-methylquinoxalin-2-amine
CID 47430216
3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine
CID 115764306
3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106118660
4-chloro-6-[2-(2-hydroxyethyl)pentylamino]-2-methylpyrimidine-5-carbaldehyde
CID 106116899
3-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]hexan-1-ol
CID 103787462

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol (CID 103705127) is 3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1nc2ccccc2nc1C.
What is the InChIKey of 3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol?
The InChIKey is FKGFPUCSYJVHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-6-13(9-10-20)11-17-16-12(2)18-14-7-4-5-8-15(14)19-16/h4-5,7-8,13,20H,3,6,9-11H2,1-2H3,(H,17,19).
What are the key properties of 3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol?
3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 103705127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).