3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine

C14H18N4O — CID 102983881

IUPAC3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NCC1CCCOC1
InChIInChI=1S/C14H18N4O/c15-13-14(16-8-10-4-3-7-19-9-10)18-12-6-2-1-5-11(12)17-13/h1-2,5-6,10H,3-4,7-9H2,(H2,15,17)(H,16,18)
InChIKeyLPNUXZSICYBSSM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.05
Rot. Bonds3

About 3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine

3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine (PubChem CID 102983881) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine
PubChem CID102983881
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NCC1CCCOC1
InChIInChI=1S/C14H18N4O/c15-13-14(16-8-10-4-3-7-19-9-10)18-12-6-2-1-5-11(12)17-13/h1-2,5-6,10H,3-4,7-9H2,(H2,15,17)(H,16,18)
InChIKeyLPNUXZSICYBSSM-UHFFFAOYSA-N
XLogP2.05
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-3-ylmethyl)-1,2,4-benzotriazin-3-amine
CID 103204139
3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine
CID 102984126
N-(oxan-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 47292416
N-(oxan-3-ylmethyl)quinazolin-2-amine
CID 114788931
4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine
CID 103963155
3-N-[(1-methylpyrrolidin-3-yl)methyl]quinoxaline-2,3-diamine
CID 102983765
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
3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97165179
3-N-(thiolan-2-ylmethyl)quinoxaline-2,3-diamine
CID 102984663
6-chloro-2-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,5-diamine
CID 59374572
5-chloro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813611

Frequently Asked Questions

What is the IUPAC name of 3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine (CID 102983881) is 3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine is Nc1nc2ccccc2nc1NCC1CCCOC1.
What is the InChIKey of 3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine?
The InChIKey is LPNUXZSICYBSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-13-14(16-8-10-4-3-7-19-9-10)18-12-6-2-1-5-11(12)17-13/h1-2,5-6,10H,3-4,7-9H2,(H2,15,17)(H,16,18).
What are the key properties of 3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine?
3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102983881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).