3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine

C15H23N5 — CID 102984071

IUPAC3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine
SMILESCCN(CC)CC(C)Nc1nc2ccccc2nc1N
InChIInChI=1S/C15H23N5/c1-4-20(5-2)10-11(3)17-15-14(16)18-12-8-6-7-9-13(12)19-15/h6-9,11H,4-5,10H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyXCFXTDNBOUNEQE-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.35
Rot. Bonds6

About 3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine

3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine (PubChem CID 102984071) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine
PubChem CID102984071
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine
SMILESCCN(CC)CC(C)Nc1nc2ccccc2nc1N
InChIInChI=1S/C15H23N5/c1-4-20(5-2)10-11(3)17-15-14(16)18-12-8-6-7-9-13(12)19-15/h6-9,11H,4-5,10H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyXCFXTDNBOUNEQE-UHFFFAOYSA-N
XLogP2.35
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine
CID 102983578
3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine
CID 102984132
1-N,1-N-diethyl-2-N-(2-hydrazinylquinazolin-4-yl)propane-1,2-diamine
CID 80902005
3-N-(1-phenylpropyl)quinoxaline-2,3-diamine
CID 102984207
3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine
CID 102987232
3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine
CID 102986815
2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide
CID 102984187
3-N-(2-methylphenyl)quinoxaline-2,3-diamine
CID 102985280
3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine
CID 102987406
3-N-(2-ethoxypropyl)quinoxaline-2,3-diamine
CID 102987287
2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine
CID 63730686
2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 63962390

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine?
The IUPAC name of 3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine (CID 102984071) is 3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine is CCN(CC)CC(C)Nc1nc2ccccc2nc1N.
What is the InChIKey of 3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine?
The InChIKey is XCFXTDNBOUNEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-20(5-2)10-11(3)17-15-14(16)18-12-8-6-7-9-13(12)19-15/h6-9,11H,4-5,10H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of 3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine?
3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine has a molecular weight of 273.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine is sourced from PubChem (CID 102984071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).