1-ethyl-3,5-dimethyladamantane

C14H24 — CID 519331

IUPAC1-ethyl-3,5-dimethyladamantane
SMILESCCC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C14H24/c1-4-14-7-11-5-12(2,9-14)8-13(3,6-11)10-14/h11H,4-10H2,1-3H3
InChIKeyFTNPDAKMYKMVKB-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.39
Rot. Bonds1

About 1-ethyl-3,5-dimethyladamantane

1-ethyl-3,5-dimethyladamantane (PubChem CID 519331) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyladamantane.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyladamantane
PubChem CID519331
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-ethyl-3,5-dimethyladamantane
SMILESCCC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C14H24/c1-4-14-7-11-5-12(2,9-14)8-13(3,6-11)10-14/h11H,4-10H2,1-3H3
InChIKeyFTNPDAKMYKMVKB-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyladamantane?
The IUPAC name of 1-ethyl-3,5-dimethyladamantane (CID 519331) is 1-ethyl-3,5-dimethyladamantane.
What is the SMILES notation for 1-ethyl-3,5-dimethyladamantane?
The canonical SMILES for 1-ethyl-3,5-dimethyladamantane is CCC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 1-ethyl-3,5-dimethyladamantane?
The InChIKey is FTNPDAKMYKMVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-4-14-7-11-5-12(2,9-14)8-13(3,6-11)10-14/h11H,4-10H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethyladamantane?
1-ethyl-3,5-dimethyladamantane has a molecular weight of 192.35 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyladamantane is sourced from PubChem (CID 519331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).