1-ethyl-2,4-dimethyladamantane

C14H24 — CID 90877999

IUPAC1-ethyl-2,4-dimethyladamantane
SMILESCCC12CC3CC(C1)C(C)C(C3)C2C
InChIInChI=1S/C14H24/c1-4-14-7-11-5-12(8-14)9(2)13(6-11)10(14)3/h9-13H,4-8H2,1-3H3
InChIKeyLTYUIMGAOGLNCB-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.10
Rot. Bonds1

About 1-ethyl-2,4-dimethyladamantane

1-ethyl-2,4-dimethyladamantane (PubChem CID 90877999) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-ethyl-2,4-dimethyladamantane.

Molecular Properties

Compound Name1-ethyl-2,4-dimethyladamantane
PubChem CID90877999
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-ethyl-2,4-dimethyladamantane
SMILESCCC12CC3CC(C1)C(C)C(C3)C2C
InChIInChI=1S/C14H24/c1-4-14-7-11-5-12(8-14)9(2)13(6-11)10(14)3/h9-13H,4-8H2,1-3H3
InChIKeyLTYUIMGAOGLNCB-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-dimethyladamantane?
The IUPAC name of 1-ethyl-2,4-dimethyladamantane (CID 90877999) is 1-ethyl-2,4-dimethyladamantane.
What is the SMILES notation for 1-ethyl-2,4-dimethyladamantane?
The canonical SMILES for 1-ethyl-2,4-dimethyladamantane is CCC12CC3CC(C1)C(C)C(C3)C2C.
What is the InChIKey of 1-ethyl-2,4-dimethyladamantane?
The InChIKey is LTYUIMGAOGLNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-4-14-7-11-5-12(8-14)9(2)13(6-11)10(14)3/h9-13H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-2,4-dimethyladamantane?
1-ethyl-2,4-dimethyladamantane has a molecular weight of 192.35 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4-dimethyladamantane is sourced from PubChem (CID 90877999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).