3-ethyl-2-methylbicyclo[3.3.1]nonane

C12H22 — CID 148913731

IUPAC3-ethyl-2-methylbicyclo[3.3.1]nonane
SMILESCCC1CC2CCCC(C2)C1C
InChIInChI=1S/C12H22/c1-3-11-7-10-5-4-6-12(8-10)9(11)2/h9-12H,3-8H2,1-2H3
InChIKeyHFYGDPZRTGHBER-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds1

About 3-ethyl-2-methylbicyclo[3.3.1]nonane

3-ethyl-2-methylbicyclo[3.3.1]nonane (PubChem CID 148913731) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3-ethyl-2-methylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-ethyl-2-methylbicyclo[3.3.1]nonane
PubChem CID148913731
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3-ethyl-2-methylbicyclo[3.3.1]nonane
SMILESCCC1CC2CCCC(C2)C1C
InChIInChI=1S/C12H22/c1-3-11-7-10-5-4-6-12(8-10)9(11)2/h9-12H,3-8H2,1-2H3
InChIKeyHFYGDPZRTGHBER-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,5R)-2-ethylbicyclo[3.3.1]nonane
CID 143508540
CID 174150583
CID 174150583
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
[(1S,5R,6R)-6-bicyclo[3.2.1]octanyl]methanol
CID 131199969
6-(2-cyclohexylethyl)bicyclo[3.2.1]octane
CID 171097692
bicyclo[3.1.1]heptane;bicyclo[4.1.0]heptane;ethane;propane
CID 90909345
2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 19102351
(2,5-dimethyl-3-bicyclo[5.3.1]undecanyl)methyl carbamimidate
CID 143332958
(1S,5R,6R)-bicyclo[3.2.1]octan-6-amine
CID 14638743
(5R)-3-ethylbicyclo[3.3.1]nonane
CID 59897306
(2-amino-3-bicyclo[3.3.1]nonanyl)methanol
CID 89331972

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylbicyclo[3.3.1]nonane?
The IUPAC name of 3-ethyl-2-methylbicyclo[3.3.1]nonane (CID 148913731) is 3-ethyl-2-methylbicyclo[3.3.1]nonane.
What is the SMILES notation for 3-ethyl-2-methylbicyclo[3.3.1]nonane?
The canonical SMILES for 3-ethyl-2-methylbicyclo[3.3.1]nonane is CCC1CC2CCCC(C2)C1C.
What is the InChIKey of 3-ethyl-2-methylbicyclo[3.3.1]nonane?
The InChIKey is HFYGDPZRTGHBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-3-11-7-10-5-4-6-12(8-10)9(11)2/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-2-methylbicyclo[3.3.1]nonane?
3-ethyl-2-methylbicyclo[3.3.1]nonane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylbicyclo[3.3.1]nonane is sourced from PubChem (CID 148913731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).