2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane

C15H25NO — CID 112747579

IUPAC2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane
SMILESCC1CCCC(OC2C3CC4CNC2C4C3)C1
InChIInChI=1S/C15H25NO/c1-9-3-2-4-12(5-9)17-15-10-6-11-8-16-14(15)13(11)7-10/h9-16H,2-8H2,1H3
InChIKeyQJICQCXNQVMVMQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.58
Rot. Bonds2

About 2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane

2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane (PubChem CID 112747579) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane
PubChem CID112747579
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane
SMILESCC1CCCC(OC2C3CC4CNC2C4C3)C1
InChIInChI=1S/C15H25NO/c1-9-3-2-4-12(5-9)17-15-10-6-11-8-16-14(15)13(11)7-10/h9-16H,2-8H2,1H3
InChIKeyQJICQCXNQVMVMQ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyloxy-4-azatricyclo[4.2.1.03,7]nonane
CID 112747563
1-(2-iodocyclopentyl)oxy-3-methylcyclohexane
CID 114773596
N,3,5-trimethyl-2-(3-methylcyclohexyl)oxycyclohexan-1-amine
CID 64753172
1-(3-methylcyclohexyl)oxy-4-methylidenecyclohexane
CID 59748641
cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane
CID 162553401
(1R)-1-methyl-3-(trifluoromethoxy)cyclohexane
CID 89263483
2-methyl-5-(3-methylcyclohexyl)piperidine
CID 106779690
(1R)-1,3-dimethylcyclohexane
CID 12594306
2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine
CID 104674594
N-methyl-2-(3-methylcyclohexyl)oxycyclohexan-1-amine
CID 55209037
3-(3-methylcyclohexyl)oxycyclohexan-1-one
CID 79618591
2-(4-azatricyclo[4.2.1.03,7]nonan-2-yloxy)pentanoic acid
CID 112747564

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane?
The IUPAC name of 2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane (CID 112747579) is 2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane.
What is the SMILES notation for 2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane?
The canonical SMILES for 2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane is CC1CCCC(OC2C3CC4CNC2C4C3)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane?
The InChIKey is QJICQCXNQVMVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-9-3-2-4-12(5-9)17-15-10-6-11-8-16-14(15)13(11)7-10/h9-16H,2-8H2,1H3.
What are the key properties of 2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane?
2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane has a molecular weight of 235.37 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane is sourced from PubChem (CID 112747579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).