2-(2-methylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol

C21H32N2O — CID 6497239

IUPAC2-(2-methylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
SMILESCCCC12CN3CC(CCC)(CN(C1)C3c1ccccc1C)C2O
InChIInChI=1S/C21H32N2O/c1-4-10-20-12-22-14-21(11-5-2,19(20)24)15-23(13-20)18(22)17-9-7-6-8-16(17)3/h6-9,18-19,24H,4-5,10-15H2,1-3H3
InChIKeyDCHIDFMPBNCESG-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.57
Rot. Bonds5

About 2-(2-methylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol

2-(2-methylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol (PubChem CID 6497239) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol.

Molecular Properties

Compound Name2-(2-methylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
PubChem CID6497239
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name2-(2-methylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
SMILESCCCC12CN3CC(CCC)(CN(C1)C3c1ccccc1C)C2O
InChIInChI=1S/C21H32N2O/c1-4-10-20-12-22-14-21(11-5-2,19(20)24)15-23(13-20)18(22)17-9-7-6-8-16(17)3/h6-9,18-19,24H,4-5,10-15H2,1-3H3
InChIKeyDCHIDFMPBNCESG-UHFFFAOYSA-N
XLogP3.57
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol with MolForge

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Related Compounds

5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 6485518
2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 1234723
2-phenyl-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol
CID 7438088
2,5-bis(2-methylphenyl)-1-propylphospholane
CID 90109691
2-(2-methylphenyl)-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 3402510
3-(2-methylphenyl)cyclobutan-1-ol
CID 60792741
(6S)-2-(2-hydroxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
CID 51695867
4-ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol
CID 3075810
(2R)-2-[(2S,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butanoic acid
CID 124829667
5-methyl-2-(2-methylphenyl)-7-propyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 5157785
trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
CID 11263979
4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione
CID 80558882

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol?
The IUPAC name of 2-(2-methylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol (CID 6497239) is 2-(2-methylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol.
What is the SMILES notation for 2-(2-methylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol?
The canonical SMILES for 2-(2-methylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol is CCCC12CN3CC(CCC)(CN(C1)C3c1ccccc1C)C2O.
What is the InChIKey of 2-(2-methylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol?
The InChIKey is DCHIDFMPBNCESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-4-10-20-12-22-14-21(11-5-2,19(20)24)15-23(13-20)18(22)17-9-7-6-8-16(17)3/h6-9,18-19,24H,4-5,10-15H2,1-3H3.
What are the key properties of 2-(2-methylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol?
2-(2-methylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol has a molecular weight of 328.50 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol is sourced from PubChem (CID 6497239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).