4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol

C16H21N3O — CID 65118314

IUPAC4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2cnc3ccccc3n2)CC1
InChIInChI=1S/C16H21N3O/c1-12-6-8-16(20,9-7-12)11-18-15-10-17-13-4-2-3-5-14(13)19-15/h2-5,10,12,20H,6-9,11H2,1H3,(H,18,19)
InChIKeyPGPDKBOKNADBFH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.98
Rot. Bonds3

About 4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol

4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 65118314) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID65118314
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2cnc3ccccc3n2)CC1
InChIInChI=1S/C16H21N3O/c1-12-6-8-16(20,9-7-12)11-18-15-10-17-13-4-2-3-5-14(13)19-15/h2-5,10,12,20H,6-9,11H2,1H3,(H,18,19)
InChIKeyPGPDKBOKNADBFH-UHFFFAOYSA-N
XLogP2.98
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol (CID 65118314) is 4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol is CC1CCC(O)(CNc2cnc3ccccc3n2)CC1.
What is the InChIKey of 4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is PGPDKBOKNADBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-6-8-16(20,9-7-12)11-18-15-10-17-13-4-2-3-5-14(13)19-15/h2-5,10,12,20H,6-9,11H2,1H3,(H,18,19).
What are the key properties of 4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol?
4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65118314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).