N-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine

C13H15N3O2 — CID 47292946

IUPACN-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine
SMILESc1ccc2nc(NCC3COCCO3)cnc2c1
InChIInChI=1S/C13H15N3O2/c1-2-4-12-11(3-1)14-8-13(16-12)15-7-10-9-17-5-6-18-10/h1-4,8,10H,5-7,9H2,(H,15,16)
InChIKeyQLWGILKDPNWMFB-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.46
Rot. Bonds3

About N-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine

N-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine (PubChem CID 47292946) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine
PubChem CID47292946
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine
SMILESc1ccc2nc(NCC3COCCO3)cnc2c1
InChIInChI=1S/C13H15N3O2/c1-2-4-12-11(3-1)14-8-13(16-12)15-7-10-9-17-5-6-18-10/h1-4,8,10H,5-7,9H2,(H,15,16)
InChIKeyQLWGILKDPNWMFB-UHFFFAOYSA-N
XLogP1.46
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]quinoxalin-2-amine
CID 33370324
N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 62351550
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]quinoxalin-2-amine
CID 95319257
6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine
CID 80647845
N-[[(2S)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]quinoxalin-2-amine
CID 100668614
N-(1,4-dioxan-2-ylmethyl)-3-nitroquinolin-4-amine
CID 103964000
N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine
CID 106549581
N-[(2-aminocyclohexyl)methyl]quinoxalin-2-amine
CID 64926894
4-N-(1,4-dioxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80797541
N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 94416055
N-[(3S,4R)-3-ethoxyoxan-4-yl]quinoxalin-2-amine
CID 91760488
4-N-(1,4-dioxan-2-ylmethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770987

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine (CID 47292946) is N-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine is c1ccc2nc(NCC3COCCO3)cnc2c1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine?
The InChIKey is QLWGILKDPNWMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-4-12-11(3-1)14-8-13(16-12)15-7-10-9-17-5-6-18-10/h1-4,8,10H,5-7,9H2,(H,15,16).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine?
N-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine has a molecular weight of 245.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)quinoxalin-2-amine is sourced from PubChem (CID 47292946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).