4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol

C15H27NO — CID 105365876

IUPAC4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESCC1CC(C)CC(C2(O)CCN3CCC2C3)C1
InChIInChI=1S/C15H27NO/c1-11-7-12(2)9-14(8-11)15(17)4-6-16-5-3-13(15)10-16/h11-14,17H,3-10H2,1-2H3
InChIKeyHLNXNHPRSNIJBH-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.52
Rot. Bonds1

About 4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol

4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105365876) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105365876
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESCC1CC(C)CC(C2(O)CCN3CCC2C3)C1
InChIInChI=1S/C15H27NO/c1-11-7-12(2)9-14(8-11)15(17)4-6-16-5-3-13(15)10-16/h11-14,17H,3-10H2,1-2H3
InChIKeyHLNXNHPRSNIJBH-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol with MolForge

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Related Compounds

4-(3-methylsulfonylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365693
4-(6-oxaspiro[4.5]decan-9-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365735
methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441572
4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid
CID 105434470
methyl 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441158
4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105365185
1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile
CID 105366259
4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365838
ethyl 3-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)propanoate
CID 105366095
4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365830
4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine
CID 105364972
4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365757

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol (CID 105365876) is 4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol is CC1CC(C)CC(C2(O)CCN3CCC2C3)C1.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is HLNXNHPRSNIJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-11-7-12(2)9-14(8-11)15(17)4-6-16-5-3-13(15)10-16/h11-14,17H,3-10H2,1-2H3.
What are the key properties of 4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol?
4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 237.39 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105365876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).