2-propyladamantane

C13H22 — CID 518952

IUPAC2-propyladamantane
SMILESCCCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H22/c1-2-3-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-13H,2-8H2,1H3
InChIKeyHMUYSRNQYPLWHB-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.86
Rot. Bonds2

About 2-propyladamantane

2-propyladamantane (PubChem CID 518952) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 2-propyladamantane.

Molecular Properties

Compound Name2-propyladamantane
PubChem CID518952
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name2-propyladamantane
SMILESCCCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H22/c1-2-3-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-13H,2-8H2,1H3
InChIKeyHMUYSRNQYPLWHB-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-propyladamantane?
The IUPAC name of 2-propyladamantane (CID 518952) is 2-propyladamantane.
What is the SMILES notation for 2-propyladamantane?
The canonical SMILES for 2-propyladamantane is CCCC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-propyladamantane?
The InChIKey is HMUYSRNQYPLWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-2-3-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-13H,2-8H2,1H3.
What are the key properties of 2-propyladamantane?
2-propyladamantane has a molecular weight of 178.32 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyladamantane is sourced from PubChem (CID 518952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).