5-cyclohexyl-3-ethylazepane

C14H27N — CID 22627824

IUPAC5-cyclohexyl-3-ethylazepane
SMILESCCC1CNCCC(C2CCCCC2)C1
InChIInChI=1S/C14H27N/c1-2-12-10-14(8-9-15-11-12)13-6-4-3-5-7-13/h12-15H,2-11H2,1H3
InChIKeyVIRUNQPTADFWTF-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.59
Rot. Bonds2

About 5-cyclohexyl-3-ethylazepane

5-cyclohexyl-3-ethylazepane (PubChem CID 22627824) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 5-cyclohexyl-3-ethylazepane.

Molecular Properties

Compound Name5-cyclohexyl-3-ethylazepane
PubChem CID22627824
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name5-cyclohexyl-3-ethylazepane
SMILESCCC1CNCCC(C2CCCCC2)C1
InChIInChI=1S/C14H27N/c1-2-12-10-14(8-9-15-11-12)13-6-4-3-5-7-13/h12-15H,2-11H2,1H3
InChIKeyVIRUNQPTADFWTF-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-ethylcyclopentyl)cyclohexane
CID 142208206
3-ethylazonane
CID 154533924
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
CID 92720083
(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
CID 164752917
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;azepane;ethane;propane
CID 143167728
ethane;3-ethylpyrrolidine
CID 143803201
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
CID 142260650
7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane
CID 58552621
4-(4-ethylcyclohexyl)piperidine
CID 20603175
bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane
CID 158507793
3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine
CID 159916829
ethane;3-ethylpyrrolidine;molecular hydrogen
CID 143963843

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-ethylazepane?
The IUPAC name of 5-cyclohexyl-3-ethylazepane (CID 22627824) is 5-cyclohexyl-3-ethylazepane.
What is the SMILES notation for 5-cyclohexyl-3-ethylazepane?
The canonical SMILES for 5-cyclohexyl-3-ethylazepane is CCC1CNCCC(C2CCCCC2)C1.
What is the InChIKey of 5-cyclohexyl-3-ethylazepane?
The InChIKey is VIRUNQPTADFWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-2-12-10-14(8-9-15-11-12)13-6-4-3-5-7-13/h12-15H,2-11H2,1H3.
What are the key properties of 5-cyclohexyl-3-ethylazepane?
5-cyclohexyl-3-ethylazepane has a molecular weight of 209.38 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-ethylazepane is sourced from PubChem (CID 22627824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).