2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol

C17H32N2O — CID 79174564

IUPAC2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(N2CCC3CCC(C2)N3C)C1
InChIInChI=1S/C17H32N2O/c1-12(2)13-4-7-17(20)16(10-13)19-9-8-14-5-6-15(11-19)18(14)3/h12-17,20H,4-11H2,1-3H3
InChIKeyYPHFXAWPRMACMQ-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.34
Rot. Bonds2

About 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol

2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 79174564) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID79174564
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(N2CCC3CCC(C2)N3C)C1
InChIInChI=1S/C17H32N2O/c1-12(2)13-4-7-17(20)16(10-13)19-9-8-14-5-6-15(11-19)18(14)3/h12-17,20H,4-11H2,1-3H3
InChIKeyYPHFXAWPRMACMQ-UHFFFAOYSA-N
XLogP2.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol with MolForge

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Related Compounds

2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62707731
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79934726
2-(4-cyclopentylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62708468
2-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62931964
2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62704133
2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 65281648
(1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol
CID 11148002
(3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol
CID 122236872
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine
CID 79938659
9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 79174792
N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine
CID 79175318
1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol
CID 115688453

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol (CID 79174564) is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(N2CCC3CCC(C2)N3C)C1.
What is the InChIKey of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is YPHFXAWPRMACMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-12(2)13-4-7-17(20)16(10-13)19-9-8-14-5-6-15(11-19)18(14)3/h12-17,20H,4-11H2,1-3H3.
What are the key properties of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol?
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 280.46 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 79174564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).