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

C17H23N3O — CID 65118662

IUPAC4,4-dimethyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNc2cnc3ccccc3n2)CC1
InChIInChI=1S/C17H23N3O/c1-16(2)7-9-17(21,10-8-16)12-19-15-11-18-13-5-3-4-6-14(13)20-15/h3-6,11,21H,7-10,12H2,1-2H3,(H,19,20)
InChIKeyVVXFZGADUGKVBB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.37
Rot. Bonds3

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

4,4-dimethyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 65118662) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID65118662
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4,4-dimethyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNc2cnc3ccccc3n2)CC1
InChIInChI=1S/C17H23N3O/c1-16(2)7-9-17(21,10-8-16)12-19-15-11-18-13-5-3-4-6-14(13)20-15/h3-6,11,21H,7-10,12H2,1-2H3,(H,19,20)
InChIKeyVVXFZGADUGKVBB-UHFFFAOYSA-N
XLogP3.37
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol (CID 65118662) is 4,4-dimethyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol is CC1(C)CCC(O)(CNc2cnc3ccccc3n2)CC1.
What is the InChIKey of 4,4-dimethyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is VVXFZGADUGKVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-16(2)7-9-17(21,10-8-16)12-19-15-11-18-13-5-3-4-6-14(13)20-15/h3-6,11,21H,7-10,12H2,1-2H3,(H,19,20).
What are the key properties of 4,4-dimethyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65118662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).