2-[[methyl-[[4-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]phenyl]methyl]amino]methyl]pyridin-3-ol

C23H33N3O — CID 59989984

IUPAC2-[[methyl-[[4-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]phenyl]methyl]amino]methyl]pyridin-3-ol
SMILESC[C@H]1CCCC[C@H]1N(C)Cc1ccc(CN(C)Cc2ncccc2O)cc1
InChIInChI=1S/C23H33N3O/c1-18-7-4-5-8-22(18)26(3)16-20-12-10-19(11-13-20)15-25(2)17-21-23(27)9-6-14-24-21/h6,9-14,18,22,27H,4-5,7-8,15-17H2,1-3H3/t18-,22+/m0/s1
InChIKeyGSPOANPUWNSZEQ-PGRDOPGGSA-N
MW367.54 g/mol
LogP4.43
Rot. Bonds7

About 2-[[methyl-[[4-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]phenyl]methyl]amino]methyl]pyridin-3-ol

2-[[methyl-[[4-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]phenyl]methyl]amino]methyl]pyridin-3-ol (PubChem CID 59989984) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 2-[[methyl-[[4-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]phenyl]methyl]amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[[methyl-[[4-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]phenyl]methyl]amino]methyl]pyridin-3-ol
PubChem CID59989984
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name2-[[methyl-[[4-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]phenyl]methyl]amino]methyl]pyridin-3-ol
SMILESC[C@H]1CCCC[C@H]1N(C)Cc1ccc(CN(C)Cc2ncccc2O)cc1
InChIInChI=1S/C23H33N3O/c1-18-7-4-5-8-22(18)26(3)16-20-12-10-19(11-13-20)15-25(2)17-21-23(27)9-6-14-24-21/h6,9-14,18,22,27H,4-5,7-8,15-17H2,1-3H3/t18-,22+/m0/s1
InChIKeyGSPOANPUWNSZEQ-PGRDOPGGSA-N
XLogP4.43
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[methyl-[[4-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]phenyl]methyl]amino]methyl]pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[[4-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]phenyl]methyl]amino]methyl]pyridin-3-ol?
The IUPAC name of 2-[[methyl-[[4-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]phenyl]methyl]amino]methyl]pyridin-3-ol (CID 59989984) is 2-[[methyl-[[4-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]phenyl]methyl]amino]methyl]pyridin-3-ol.
What is the SMILES notation for 2-[[methyl-[[4-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]phenyl]methyl]amino]methyl]pyridin-3-ol?
The canonical SMILES for 2-[[methyl-[[4-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]phenyl]methyl]amino]methyl]pyridin-3-ol is C[C@H]1CCCC[C@H]1N(C)Cc1ccc(CN(C)Cc2ncccc2O)cc1.
What is the InChIKey of 2-[[methyl-[[4-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]phenyl]methyl]amino]methyl]pyridin-3-ol?
The InChIKey is GSPOANPUWNSZEQ-PGRDOPGGSA-N. The full InChI is InChI=1S/C23H33N3O/c1-18-7-4-5-8-22(18)26(3)16-20-12-10-19(11-13-20)15-25(2)17-21-23(27)9-6-14-24-21/h6,9-14,18,22,27H,4-5,7-8,15-17H2,1-3H3/t18-,22+/m0/s1.
What are the key properties of 2-[[methyl-[[4-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]phenyl]methyl]amino]methyl]pyridin-3-ol?
2-[[methyl-[[4-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]phenyl]methyl]amino]methyl]pyridin-3-ol has a molecular weight of 367.54 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[[4-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]phenyl]methyl]amino]methyl]pyridin-3-ol is sourced from PubChem (CID 59989984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).