2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine

C13H17N3 — CID 104614216

IUPAC2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine
SMILESCC(C)CNCc1cccc2nccnc12
InChIInChI=1S/C13H17N3/c1-10(2)8-14-9-11-4-3-5-12-13(11)16-7-6-15-12/h3-7,10,14H,8-9H2,1-2H3
InChIKeyJSPAGTUDSFGCAT-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.38
Rot. Bonds4

About 2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine

2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine (PubChem CID 104614216) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine
PubChem CID104614216
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine
SMILESCC(C)CNCc1cccc2nccnc12
InChIInChI=1S/C13H17N3/c1-10(2)8-14-9-11-4-3-5-12-13(11)16-7-6-15-12/h3-7,10,14H,8-9H2,1-2H3
InChIKeyJSPAGTUDSFGCAT-UHFFFAOYSA-N
XLogP2.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine
CID 104614269
N-(quinoxalin-5-ylmethyl)butan-2-amine
CID 104614226
2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine
CID 113433192
N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine
CID 104614230
2-(quinoxalin-5-ylmethylamino)propan-1-ol
CID 104614241
N-(quinoxalin-5-ylmethyl)cyclopentanamine
CID 104614218
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
2-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 43182084
N-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114199171
3-methyl-4-(quinolin-8-ylmethylamino)butan-1-ol
CID 66089220
2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290330
3-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine
CID 62285279

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine (CID 104614216) is 2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine is CC(C)CNCc1cccc2nccnc12.
What is the InChIKey of 2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine?
The InChIKey is JSPAGTUDSFGCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(2)8-14-9-11-4-3-5-12-13(11)16-7-6-15-12/h3-7,10,14H,8-9H2,1-2H3.
What are the key properties of 2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine?
2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 104614216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).