1-ethyl-9-methyl-5-propan-2-ylbicyclo[3.3.1]nonane

C15H28 — CID 91548537

IUPAC1-ethyl-9-methyl-5-propan-2-ylbicyclo[3.3.1]nonane
SMILESCCC12CCCC(C(C)C)(CCC1)C2C
InChIInChI=1S/C15H28/c1-5-14-8-6-10-15(12(2)3,13(14)4)11-7-9-14/h12-13H,5-11H2,1-4H3
InChIKeyRSJRMEJJNXVFAT-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.03
Rot. Bonds2

About 1-ethyl-9-methyl-5-propan-2-ylbicyclo[3.3.1]nonane

1-ethyl-9-methyl-5-propan-2-ylbicyclo[3.3.1]nonane (PubChem CID 91548537) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-ethyl-9-methyl-5-propan-2-ylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1-ethyl-9-methyl-5-propan-2-ylbicyclo[3.3.1]nonane
PubChem CID91548537
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-ethyl-9-methyl-5-propan-2-ylbicyclo[3.3.1]nonane
SMILESCCC12CCCC(C(C)C)(CCC1)C2C
InChIInChI=1S/C15H28/c1-5-14-8-6-10-15(12(2)3,13(14)4)11-7-9-14/h12-13H,5-11H2,1-4H3
InChIKeyRSJRMEJJNXVFAT-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

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

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Related Compounds

1,5-di(propan-2-yl)bicyclo[3.3.3]undecane
CID 177092419
trans-(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropan-1-amine
CID 178197811
1-(1-ethylcyclopentyl)-2-methylcyclohexane
CID 173420432
(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane
CID 101415257
2-(1-ethylcyclohexyl)oxirane
CID 123342975
(4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine
CID 176727365
[(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropyl]methanamine
CID 178199763
1-ethyl-1-propan-2-ylcyclopropane
CID 22977902
1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane
CID 143295904
1-ethyl-1,2,3-trimethyl-2-propan-2-ylcyclopropane
CID 91546237
1-bromo-3-methyl-1-propan-2-ylcyclohexane
CID 70545857
2-(1-ethylcyclohexyl)-1,4-dimethylcyclohexane
CID 174725274

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9-methyl-5-propan-2-ylbicyclo[3.3.1]nonane?
The IUPAC name of 1-ethyl-9-methyl-5-propan-2-ylbicyclo[3.3.1]nonane (CID 91548537) is 1-ethyl-9-methyl-5-propan-2-ylbicyclo[3.3.1]nonane.
What is the SMILES notation for 1-ethyl-9-methyl-5-propan-2-ylbicyclo[3.3.1]nonane?
The canonical SMILES for 1-ethyl-9-methyl-5-propan-2-ylbicyclo[3.3.1]nonane is CCC12CCCC(C(C)C)(CCC1)C2C.
What is the InChIKey of 1-ethyl-9-methyl-5-propan-2-ylbicyclo[3.3.1]nonane?
The InChIKey is RSJRMEJJNXVFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-5-14-8-6-10-15(12(2)3,13(14)4)11-7-9-14/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-ethyl-9-methyl-5-propan-2-ylbicyclo[3.3.1]nonane?
1-ethyl-9-methyl-5-propan-2-ylbicyclo[3.3.1]nonane has a molecular weight of 208.39 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9-methyl-5-propan-2-ylbicyclo[3.3.1]nonane is sourced from PubChem (CID 91548537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).