3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine

C14H21N5 — CID 102983578

IUPAC3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine
SMILESCCN(CC)CCNc1nc2ccccc2nc1N
InChIInChI=1S/C14H21N5/c1-3-19(4-2)10-9-16-14-13(15)17-11-7-5-6-8-12(11)18-14/h5-8H,3-4,9-10H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyLJWBUWKMHHDRTC-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.97
Rot. Bonds6

About 3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine

3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine (PubChem CID 102983578) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine
PubChem CID102983578
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine
SMILESCCN(CC)CCNc1nc2ccccc2nc1N
InChIInChI=1S/C14H21N5/c1-3-19(4-2)10-9-16-14-13(15)17-11-7-5-6-8-12(11)18-14/h5-8H,3-4,9-10H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyLJWBUWKMHHDRTC-UHFFFAOYSA-N
XLogP1.97
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[1-(diethylamino)propan-2-yl]quinoxaline-2,3-diamine
CID 102984071
3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine
CID 102987406
3-N-(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102983552
N',N'-diethyl-N-quinolin-2-ylethane-1,2-diamine
CID 29034391
3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine
CID 102987489
N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
CID 21412321
2-[(3-aminoquinoxalin-2-yl)amino]ethanesulfonamide
CID 102983720
2-N-[2-(diethylamino)ethyl]pyridine-2,3-diamine
CID 28818395
N',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine
CID 134130331
4-[(3-aminoquinoxalin-2-yl)amino]butanamide
CID 102983771
4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
CID 62407799
6-N-[2-(diethylamino)ethyl]pyridine-2,3,6-triamine
CID 79822537

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine?
The IUPAC name of 3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine (CID 102983578) is 3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine is CCN(CC)CCNc1nc2ccccc2nc1N.
What is the InChIKey of 3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine?
The InChIKey is LJWBUWKMHHDRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-19(4-2)10-9-16-14-13(15)17-11-7-5-6-8-12(11)18-14/h5-8H,3-4,9-10H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine?
3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine has a molecular weight of 259.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 102983578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).