1-tert-butyl-3-ethylbicyclo[3.3.1]nonane

C15H28 — CID 176632056

IUPAC1-tert-butyl-3-ethylbicyclo[3.3.1]nonane
SMILESCCC1CC2CCCC(C(C)(C)C)(C1)C2
InChIInChI=1S/C15H28/c1-5-12-9-13-7-6-8-15(10-12,11-13)14(2,3)4/h12-13H,5-11H2,1-4H3
InChIKeyBURZMLSXGHQUIQ-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.03
Rot. Bonds1

About 1-tert-butyl-3-ethylbicyclo[3.3.1]nonane

1-tert-butyl-3-ethylbicyclo[3.3.1]nonane (PubChem CID 176632056) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-tert-butyl-3-ethylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1-tert-butyl-3-ethylbicyclo[3.3.1]nonane
PubChem CID176632056
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-tert-butyl-3-ethylbicyclo[3.3.1]nonane
SMILESCCC1CC2CCCC(C(C)(C)C)(C1)C2
InChIInChI=1S/C15H28/c1-5-12-9-13-7-6-8-15(10-12,11-13)14(2,3)4/h12-13H,5-11H2,1-4H3
InChIKeyBURZMLSXGHQUIQ-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-3-ethylbicyclo[3.3.1]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate
CID 123912108
(5R)-3-ethylbicyclo[3.3.1]nonane
CID 59897306
(2S)-2-chloro-N-[(1R,3R,5R)-3-ethyl-1-bicyclo[3.3.1]nonanyl]propanamide
CID 98292617
2-(3-ethyl-1-bicyclo[3.3.1]nonanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 123948272
N-[(4-bromophenyl)methyl]-3-ethylbicyclo[3.3.1]nonan-1-amine
CID 123830216
3-ethylbicyclo[3.1.1]heptane
CID 59715790
8-(2,2-dimethylpropyl)bicyclo[4.3.1]decane
CID 140778092
1-(2-methylpentan-2-yl)bicyclo[2.2.1]heptane
CID 123762100
2-(1-adamantyl)butan-2-ylphosphane
CID 166806637
1-(chloromethyl)-3-ethylcyclohexane-1-carbaldehyde
CID 131189795
1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol
CID 79126059
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol
CID 79128708

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethylbicyclo[3.3.1]nonane?
The IUPAC name of 1-tert-butyl-3-ethylbicyclo[3.3.1]nonane (CID 176632056) is 1-tert-butyl-3-ethylbicyclo[3.3.1]nonane.
What is the SMILES notation for 1-tert-butyl-3-ethylbicyclo[3.3.1]nonane?
The canonical SMILES for 1-tert-butyl-3-ethylbicyclo[3.3.1]nonane is CCC1CC2CCCC(C(C)(C)C)(C1)C2.
What is the InChIKey of 1-tert-butyl-3-ethylbicyclo[3.3.1]nonane?
The InChIKey is BURZMLSXGHQUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-5-12-9-13-7-6-8-15(10-12,11-13)14(2,3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-tert-butyl-3-ethylbicyclo[3.3.1]nonane?
1-tert-butyl-3-ethylbicyclo[3.3.1]nonane has a molecular weight of 208.39 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethylbicyclo[3.3.1]nonane is sourced from PubChem (CID 176632056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).