2-(2-ethyl-2-adamantyl)propanedinitrile

C15H20N2 — CID 10585463

IUPAC2-(2-ethyl-2-adamantyl)propanedinitrile
SMILESCCC1(C(C#N)C#N)C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H20N2/c1-2-15(14(8-16)9-17)12-4-10-3-11(6-12)7-13(15)5-10/h10-14H,2-7H2,1H3
InChIKeyQPQMNMPQKJVTGS-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.50
Rot. Bonds2

About 2-(2-ethyl-2-adamantyl)propanedinitrile

2-(2-ethyl-2-adamantyl)propanedinitrile (PubChem CID 10585463) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(2-ethyl-2-adamantyl)propanedinitrile.

Molecular Properties

Compound Name2-(2-ethyl-2-adamantyl)propanedinitrile
PubChem CID10585463
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-(2-ethyl-2-adamantyl)propanedinitrile
SMILESCCC1(C(C#N)C#N)C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H20N2/c1-2-15(14(8-16)9-17)12-4-10-3-11(6-12)7-13(15)5-10/h10-14H,2-7H2,1H3
InChIKeyQPQMNMPQKJVTGS-UHFFFAOYSA-N
XLogP3.50
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2-adamantyl)propanedinitrile?
The IUPAC name of 2-(2-ethyl-2-adamantyl)propanedinitrile (CID 10585463) is 2-(2-ethyl-2-adamantyl)propanedinitrile.
What is the SMILES notation for 2-(2-ethyl-2-adamantyl)propanedinitrile?
The canonical SMILES for 2-(2-ethyl-2-adamantyl)propanedinitrile is CCC1(C(C#N)C#N)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-ethyl-2-adamantyl)propanedinitrile?
The InChIKey is QPQMNMPQKJVTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-15(14(8-16)9-17)12-4-10-3-11(6-12)7-13(15)5-10/h10-14H,2-7H2,1H3.
What are the key properties of 2-(2-ethyl-2-adamantyl)propanedinitrile?
2-(2-ethyl-2-adamantyl)propanedinitrile has a molecular weight of 228.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2-adamantyl)propanedinitrile is sourced from PubChem (CID 10585463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).