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

C14H19N5 — CID 97164706

IUPAC2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
SMILESCNc1nc2ccccc2nc1NC[C@@H]1CCCN1
InChIInChI=1S/C14H19N5/c1-15-13-14(17-9-10-5-4-8-16-10)19-12-7-3-2-6-11(12)18-13/h2-3,6-7,10,16H,4-5,8-9H2,1H3,(H,15,18)(H,17,19)/t10-/m0/s1
InChIKeySWDAZXLLNYNQEO-JTQLQIEISA-N
MW257.34 g/mol
LogP1.84
Rot. Bonds4

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

2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine (PubChem CID 97164706) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
PubChem CID97164706
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
SMILESCNc1nc2ccccc2nc1NC[C@@H]1CCCN1
InChIInChI=1S/C14H19N5/c1-15-13-14(17-9-10-5-4-8-16-10)19-12-7-3-2-6-11(12)18-13/h2-3,6-7,10,16H,4-5,8-9H2,1H3,(H,15,18)(H,17,19)/t10-/m0/s1
InChIKeySWDAZXLLNYNQEO-JTQLQIEISA-N
XLogP1.84
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 97164043
3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97165181
3-chloro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine
CID 71640743
2-N-methyl-3-N-[[(3S)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine
CID 97164709
2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine
CID 97164708
3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97165179
3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 97164042
N-methyl-3-[[(2R)-pyrrolidin-2-yl]methoxy]quinoxalin-2-amine
CID 97164715
N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 94416055
N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-benzothiazol-3-amine
CID 97178372
2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine
CID 71642523
N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71636788

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine?
The IUPAC name of 2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine (CID 97164706) is 2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine?
The canonical SMILES for 2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine is CNc1nc2ccccc2nc1NC[C@@H]1CCCN1.
What is the InChIKey of 2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine?
The InChIKey is SWDAZXLLNYNQEO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5/c1-15-13-14(17-9-10-5-4-8-16-10)19-12-7-3-2-6-11(12)18-13/h2-3,6-7,10,16H,4-5,8-9H2,1H3,(H,15,18)(H,17,19)/t10-/m0/s1.
What are the key properties of 2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine?
2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine has a molecular weight of 257.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 97164706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).