1-[2-(4-methylcyclohexyl)oxyethyl]azepane

C15H29NO — CID 140572945

IUPAC1-[2-(4-methylcyclohexyl)oxyethyl]azepane
SMILESCC1CCC(OCCN2CCCCCC2)CC1
InChIInChI=1S/C15H29NO/c1-14-6-8-15(9-7-14)17-13-12-16-10-4-2-3-5-11-16/h14-15H,2-13H2,1H3
InChIKeyZQNBIOKFXZBMGN-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.46
Rot. Bonds4

About 1-[2-(4-methylcyclohexyl)oxyethyl]azepane

1-[2-(4-methylcyclohexyl)oxyethyl]azepane (PubChem CID 140572945) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[2-(4-methylcyclohexyl)oxyethyl]azepane.

Molecular Properties

Compound Name1-[2-(4-methylcyclohexyl)oxyethyl]azepane
PubChem CID140572945
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[2-(4-methylcyclohexyl)oxyethyl]azepane
SMILESCC1CCC(OCCN2CCCCCC2)CC1
InChIInChI=1S/C15H29NO/c1-14-6-8-15(9-7-14)17-13-12-16-10-4-2-3-5-11-16/h14-15H,2-13H2,1H3
InChIKeyZQNBIOKFXZBMGN-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylcyclohexyl)oxyethyl]azepane?
The IUPAC name of 1-[2-(4-methylcyclohexyl)oxyethyl]azepane (CID 140572945) is 1-[2-(4-methylcyclohexyl)oxyethyl]azepane.
What is the SMILES notation for 1-[2-(4-methylcyclohexyl)oxyethyl]azepane?
The canonical SMILES for 1-[2-(4-methylcyclohexyl)oxyethyl]azepane is CC1CCC(OCCN2CCCCCC2)CC1.
What is the InChIKey of 1-[2-(4-methylcyclohexyl)oxyethyl]azepane?
The InChIKey is ZQNBIOKFXZBMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14-6-8-15(9-7-14)17-13-12-16-10-4-2-3-5-11-16/h14-15H,2-13H2,1H3.
What are the key properties of 1-[2-(4-methylcyclohexyl)oxyethyl]azepane?
1-[2-(4-methylcyclohexyl)oxyethyl]azepane has a molecular weight of 239.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylcyclohexyl)oxyethyl]azepane is sourced from PubChem (CID 140572945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).