1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine

C13H18N4 — CID 63760342

IUPAC1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine
SMILESCc1nc2ccccc2nc1N(C)CC(C)N
InChIInChI=1S/C13H18N4/c1-9(14)8-17(3)13-10(2)15-11-6-4-5-7-12(11)16-13/h4-7,9H,8,14H2,1-3H3
InChIKeyQHHLNMZBIIOZDD-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.72
Rot. Bonds3

About 1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine

1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine (PubChem CID 63760342) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine
PubChem CID63760342
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine
SMILESCc1nc2ccccc2nc1N(C)CC(C)N
InChIInChI=1S/C13H18N4/c1-9(14)8-17(3)13-10(2)15-11-6-4-5-7-12(11)16-13/h4-7,9H,8,14H2,1-3H3
InChIKeyQHHLNMZBIIOZDD-UHFFFAOYSA-N
XLogP1.72
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine (CID 63760342) is 1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine is Cc1nc2ccccc2nc1N(C)CC(C)N.
What is the InChIKey of 1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine?
The InChIKey is QHHLNMZBIIOZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(14)8-17(3)13-10(2)15-11-6-4-5-7-12(11)16-13/h4-7,9H,8,14H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine?
1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine has a molecular weight of 230.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine is sourced from PubChem (CID 63760342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).