3-N-[(1-methylpyrrolidin-3-yl)methyl]quinoxaline-2,3-diamine

C14H19N5 — CID 102983765

IUPAC3-N-[(1-methylpyrrolidin-3-yl)methyl]quinoxaline-2,3-diamine
SMILESCN1CCC(CNc2nc3ccccc3nc2N)C1
InChIInChI=1S/C14H19N5/c1-19-7-6-10(9-19)8-16-14-13(15)17-11-4-2-3-5-12(11)18-14/h2-5,10H,6-9H2,1H3,(H2,15,17)(H,16,18)
InChIKeyIMWIDERNRFHFJA-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.58
Rot. Bonds3

About 3-N-[(1-methylpyrrolidin-3-yl)methyl]quinoxaline-2,3-diamine

3-N-[(1-methylpyrrolidin-3-yl)methyl]quinoxaline-2,3-diamine (PubChem CID 102983765) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-N-[(1-methylpyrrolidin-3-yl)methyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-[(1-methylpyrrolidin-3-yl)methyl]quinoxaline-2,3-diamine
PubChem CID102983765
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name3-N-[(1-methylpyrrolidin-3-yl)methyl]quinoxaline-2,3-diamine
SMILESCN1CCC(CNc2nc3ccccc3nc2N)C1
InChIInChI=1S/C14H19N5/c1-19-7-6-10(9-19)8-16-14-13(15)17-11-4-2-3-5-12(11)18-14/h2-5,10H,6-9H2,1H3,(H2,15,17)(H,16,18)
InChIKeyIMWIDERNRFHFJA-UHFFFAOYSA-N
XLogP1.58
TPSA67.07 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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine
CID 102984126
4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
CID 80789448
3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine
CID 102983881
3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97165181
2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol
CID 102984509
2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine
CID 62475651
3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97165179
3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine
CID 102984663
2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79890335
3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine
CID 102984290
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazin-2-amine
CID 83065208
6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 62406758

Frequently Asked Questions

What is the IUPAC name of 3-N-[(1-methylpyrrolidin-3-yl)methyl]quinoxaline-2,3-diamine?
The IUPAC name of 3-N-[(1-methylpyrrolidin-3-yl)methyl]quinoxaline-2,3-diamine (CID 102983765) is 3-N-[(1-methylpyrrolidin-3-yl)methyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-[(1-methylpyrrolidin-3-yl)methyl]quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-[(1-methylpyrrolidin-3-yl)methyl]quinoxaline-2,3-diamine is CN1CCC(CNc2nc3ccccc3nc2N)C1.
What is the InChIKey of 3-N-[(1-methylpyrrolidin-3-yl)methyl]quinoxaline-2,3-diamine?
The InChIKey is IMWIDERNRFHFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-19-7-6-10(9-19)8-16-14-13(15)17-11-4-2-3-5-12(11)18-14/h2-5,10H,6-9H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 3-N-[(1-methylpyrrolidin-3-yl)methyl]quinoxaline-2,3-diamine?
3-N-[(1-methylpyrrolidin-3-yl)methyl]quinoxaline-2,3-diamine has a molecular weight of 257.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1-methylpyrrolidin-3-yl)methyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 102983765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).