2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine

C14H19N5 — CID 71642505

IUPAC2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine
SMILESCNc1nc2ccccc2nc1N(C)[C@H]1CCNC1
InChIInChI=1S/C14H19N5/c1-15-13-14(19(2)10-7-8-16-9-10)18-12-6-4-3-5-11(12)17-13/h3-6,10,16H,7-9H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyXOMLYSWXYXHHEI-JTQLQIEISA-N
MW257.34 g/mol
LogP1.47
Rot. Bonds3

About 2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine

2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine (PubChem CID 71642505) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine
PubChem CID71642505
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine
SMILESCNc1nc2ccccc2nc1N(C)[C@H]1CCNC1
InChIInChI=1S/C14H19N5/c1-15-13-14(19(2)10-7-8-16-9-10)18-12-6-4-3-5-11(12)17-13/h3-6,10,16H,7-9H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyXOMLYSWXYXHHEI-JTQLQIEISA-N
XLogP1.47
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,3-N-dimethyl-3-N-[(3R)-pyrrolidin-3-yl]quinoxaline-2,3-diamine;hydrochloride
CID 71642500
2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine
CID 71642503
2-N,3-N-dimethyl-3-N-piperidin-4-ylquinoxaline-2,3-diamine
CID 71642511
N,3-dimethyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 55205906
3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine
CID 71639635
3-ethoxy-N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine
CID 71639631
N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71641013
3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71643025
3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71643020
3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71639633
tert-butyl 4-[methyl-[3-(methylamino)quinoxalin-2-yl]amino]piperidine-1-carboxylate
CID 71648017
N-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride
CID 71641425

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine (CID 71642505) is 2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine is CNc1nc2ccccc2nc1N(C)[C@H]1CCNC1.
What is the InChIKey of 2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine?
The InChIKey is XOMLYSWXYXHHEI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5/c1-15-13-14(19(2)10-7-8-16-9-10)18-12-6-4-3-5-11(12)17-13/h3-6,10,16H,7-9H2,1-2H3,(H,15,17)/t10-/m0/s1.
What are the key properties of 2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine?
2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine has a molecular weight of 257.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine is sourced from PubChem (CID 71642505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).