3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

C18H26N2O — CID 115313816

IUPAC3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2N1CCC2CCC(C1)N2
InChIInChI=1S/C18H26N2O/c1-11-3-6-16(21)18-15(9-12(2)17(11)18)20-8-7-13-4-5-14(10-20)19-13/h3,6,12-15,19,21H,4-5,7-10H2,1-2H3
InChIKeyRAVLMULSTWBAFS-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.08
Rot. Bonds1

About 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 115313816) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
PubChem CID115313816
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2N1CCC2CCC(C1)N2
InChIInChI=1S/C18H26N2O/c1-11-3-6-16(21)18-15(9-12(2)17(11)18)20-8-7-13-4-5-14(10-20)19-13/h3,6,12-15,19,21H,4-5,7-10H2,1-2H3
InChIKeyRAVLMULSTWBAFS-UHFFFAOYSA-N
XLogP3.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminopyrrolidin-1-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 62068867
1-(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid
CID 65071953
3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313832
3-[(3,5-dimethylcyclohexyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 64732473
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol
CID 113284861
3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313667
3-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 64913231
(5-bromo-2-methylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119635913
3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 64922351
1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol
CID 43203893
3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 116531514
3-(3,4-dihydro-1H-isochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 107150003

Frequently Asked Questions

What is the IUPAC name of 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (CID 115313816) is 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is Cc1ccc(O)c2c1C(C)CC2N1CCC2CCC(C1)N2.
What is the InChIKey of 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is RAVLMULSTWBAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-11-3-6-16(21)18-15(9-12(2)17(11)18)20-8-7-13-4-5-14(10-20)19-13/h3,6,12-15,19,21H,4-5,7-10H2,1-2H3.
What are the key properties of 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 286.42 g/mol, XLogP of 3.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 115313816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).