N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine

C13H18N4 — CID 18549044

IUPACN',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
SMILESCc1nc2ccccc2nc1NCCN(C)C
InChIInChI=1S/C13H18N4/c1-10-13(14-8-9-17(2)3)16-12-7-5-4-6-11(12)15-10/h4-7H,8-9H2,1-3H3,(H,14,16)
InChIKeyUDJGDIAWKJICSS-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.91
Rot. Bonds4

About N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine (PubChem CID 18549044) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
PubChem CID18549044
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
SMILESCc1nc2ccccc2nc1NCCN(C)C
InChIInChI=1S/C13H18N4/c1-10-13(14-8-9-17(2)3)16-12-7-5-4-6-11(12)15-10/h4-7H,8-9H2,1-3H3,(H,14,16)
InChIKeyUDJGDIAWKJICSS-UHFFFAOYSA-N
XLogP1.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine (CID 18549044) is N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine is Cc1nc2ccccc2nc1NCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine?
The InChIKey is UDJGDIAWKJICSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-13(14-8-9-17(2)3)16-12-7-5-4-6-11(12)15-10/h4-7H,8-9H2,1-3H3,(H,14,16).
What are the key properties of N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine has a molecular weight of 230.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 18549044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).