3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine

C14H21N5 — CID 102984132

IUPAC3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine
SMILESCC(CCN(C)C)Nc1nc2ccccc2nc1N
InChIInChI=1S/C14H21N5/c1-10(8-9-19(2)3)16-14-13(15)17-11-6-4-5-7-12(11)18-14/h4-7,10H,8-9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyVCWICFKYXKOSSV-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.96
Rot. Bonds5

About 3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine

3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine (PubChem CID 102984132) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine
PubChem CID102984132
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine
SMILESCC(CCN(C)C)Nc1nc2ccccc2nc1N
InChIInChI=1S/C14H21N5/c1-10(8-9-19(2)3)16-14-13(15)17-11-6-4-5-7-12(11)18-14/h4-7,10H,8-9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyVCWICFKYXKOSSV-UHFFFAOYSA-N
XLogP1.96
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine?
The IUPAC name of 3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine (CID 102984132) is 3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine is CC(CCN(C)C)Nc1nc2ccccc2nc1N.
What is the InChIKey of 3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine?
The InChIKey is VCWICFKYXKOSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10(8-9-19(2)3)16-14-13(15)17-11-6-4-5-7-12(11)18-14/h4-7,10H,8-9H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of 3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine?
3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine has a molecular weight of 259.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine is sourced from PubChem (CID 102984132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).