N-[4-(aminomethyl)oxan-4-yl]quinoxalin-2-amine

C14H18N4O — CID 106298032

IUPACN-[4-(aminomethyl)oxan-4-yl]quinoxalin-2-amine
SMILESNCC1(Nc2cnc3ccccc3n2)CCOCC1
InChIInChI=1S/C14H18N4O/c15-10-14(5-7-19-8-6-14)18-13-9-16-11-3-1-2-4-12(11)17-13/h1-4,9H,5-8,10,15H2,(H,17,18)
InChIKeyYRWULYXRLSICCB-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.55
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]quinoxalin-2-amine

N-[4-(aminomethyl)oxan-4-yl]quinoxalin-2-amine (PubChem CID 106298032) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]quinoxalin-2-amine
PubChem CID106298032
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]quinoxalin-2-amine
SMILESNCC1(Nc2cnc3ccccc3n2)CCOCC1
InChIInChI=1S/C14H18N4O/c15-10-14(5-7-19-8-6-14)18-13-9-16-11-3-1-2-4-12(11)17-13/h1-4,9H,5-8,10,15H2,(H,17,18)
InChIKeyYRWULYXRLSICCB-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine
CID 106298394
N-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine
CID 106298365
N-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine
CID 71996040
N-[1-(aminomethyl)-2-methylcyclohexyl]quinoxalin-2-amine
CID 115309074
[4-methyl-1-(quinoxalin-2-ylamino)cyclohexyl]methanol
CID 62525503
N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 62351550
N-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine
CID 106298397
N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine
CID 106298028
2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid
CID 119214947
N-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine
CID 106298125
N-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine
CID 114170114
N-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine
CID 114170144

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]quinoxalin-2-amine?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]quinoxalin-2-amine (CID 106298032) is N-[4-(aminomethyl)oxan-4-yl]quinoxalin-2-amine.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]quinoxalin-2-amine?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]quinoxalin-2-amine is NCC1(Nc2cnc3ccccc3n2)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]quinoxalin-2-amine?
The InChIKey is YRWULYXRLSICCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-10-14(5-7-19-8-6-14)18-13-9-16-11-3-1-2-4-12(11)17-13/h1-4,9H,5-8,10,15H2,(H,17,18).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]quinoxalin-2-amine?
N-[4-(aminomethyl)oxan-4-yl]quinoxalin-2-amine has a molecular weight of 258.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]quinoxalin-2-amine is sourced from PubChem (CID 106298032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).