2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol

C15H20N4O — CID 102984509

IUPAC2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1nc2ccccc2nc1NCC1CCCCC1O
InChIInChI=1S/C15H20N4O/c16-14-15(17-9-10-5-1-4-8-13(10)20)19-12-7-3-2-6-11(12)18-14/h2-3,6-7,10,13,20H,1,4-5,8-9H2,(H2,16,18)(H,17,19)
InChIKeyYAVPDJCCDLCEGE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.17
Rot. Bonds3

About 2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol

2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 102984509) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID102984509
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1nc2ccccc2nc1NCC1CCCCC1O
InChIInChI=1S/C15H20N4O/c16-14-15(17-9-10-5-1-4-8-13(10)20)19-12-7-3-2-6-11(12)18-14/h2-3,6-7,10,13,20H,1,4-5,8-9H2,(H2,16,18)(H,17,19)
InChIKeyYAVPDJCCDLCEGE-UHFFFAOYSA-N
XLogP2.17
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol (CID 102984509) is 2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol is Nc1nc2ccccc2nc1NCC1CCCCC1O.
What is the InChIKey of 2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is YAVPDJCCDLCEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-14-15(17-9-10-5-1-4-8-13(10)20)19-12-7-3-2-6-11(12)18-14/h2-3,6-7,10,13,20H,1,4-5,8-9H2,(H2,16,18)(H,17,19).
What are the key properties of 2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol?
2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-aminoquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 102984509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).