3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane

C14H26 — CID 76732971

IUPAC3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane
SMILESCCC1CC2CC(C1)CC(C(C)C)C2
InChIInChI=1S/C14H26/c1-4-11-5-12-7-13(6-11)9-14(8-12)10(2)3/h10-14H,4-9H2,1-3H3
InChIKeyVQAAJDBGIXAJBM-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.49
Rot. Bonds2

About 3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane

3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane (PubChem CID 76732971) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane
PubChem CID76732971
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane
SMILESCCC1CC2CC(C1)CC(C(C)C)C2
InChIInChI=1S/C14H26/c1-4-11-5-12-7-13(6-11)9-14(8-12)10(2)3/h10-14H,4-9H2,1-3H3
InChIKeyVQAAJDBGIXAJBM-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-3,5-di(propan-2-yl)cyclohexane
CID 90833557
3-ethylbicyclo[3.1.1]heptane
CID 59715790
3-propan-2-ylbicyclo[3.1.1]heptane
CID 59796479
(3aS,6aR)-2-ethyl-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 177020606
2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 91278744
(5R)-3-ethylbicyclo[3.3.1]nonane
CID 59897306
(1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane
CID 58358740
6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane
CID 159076202
(1S,2R,5S)-6,6-dimethyl-2-(3-methylbutyl)bicyclo[3.1.1]heptane;(1R,5S)-3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1R,5S)-3-methyl-7-propan-2-ylbicyclo[3.3.1]nonane;(1S,6R)-8-propan-2-ylbicyclo[4.3.1]decane;(1R,5S)-3-propan-2-ylbicyclo[3.3.1]nonane;propan-2-ylcyclodecane;propan-2-ylcyclononane;propan-2-ylcyclooctane
CID 162105924
N-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide
CID 123304596
N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561721
1-chloro-3-ethylcyclobutane
CID 57207865

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane?
The IUPAC name of 3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane (CID 76732971) is 3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane.
What is the SMILES notation for 3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane?
The canonical SMILES for 3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane is CCC1CC2CC(C1)CC(C(C)C)C2.
What is the InChIKey of 3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane?
The InChIKey is VQAAJDBGIXAJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-4-11-5-12-7-13(6-11)9-14(8-12)10(2)3/h10-14H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane?
3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane has a molecular weight of 194.36 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane is sourced from PubChem (CID 76732971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).