2-(2-methyl-2-adamantyl)propanedinitrile

C14H18N2 — CID 10512829

IUPAC2-(2-methyl-2-adamantyl)propanedinitrile
SMILESCC1(C(C#N)C#N)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H18N2/c1-14(13(7-15)8-16)11-3-9-2-10(5-11)6-12(14)4-9/h9-13H,2-6H2,1H3
InChIKeyDQQSIPCYIWYCOB-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.11
Rot. Bonds1

About 2-(2-methyl-2-adamantyl)propanedinitrile

2-(2-methyl-2-adamantyl)propanedinitrile (PubChem CID 10512829) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(2-methyl-2-adamantyl)propanedinitrile.

Molecular Properties

Compound Name2-(2-methyl-2-adamantyl)propanedinitrile
PubChem CID10512829
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(2-methyl-2-adamantyl)propanedinitrile
SMILESCC1(C(C#N)C#N)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H18N2/c1-14(13(7-15)8-16)11-3-9-2-10(5-11)6-12(14)4-9/h9-13H,2-6H2,1H3
InChIKeyDQQSIPCYIWYCOB-UHFFFAOYSA-N
XLogP3.11
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-adamantyl)propanedinitrile?
The IUPAC name of 2-(2-methyl-2-adamantyl)propanedinitrile (CID 10512829) is 2-(2-methyl-2-adamantyl)propanedinitrile.
What is the SMILES notation for 2-(2-methyl-2-adamantyl)propanedinitrile?
The canonical SMILES for 2-(2-methyl-2-adamantyl)propanedinitrile is CC1(C(C#N)C#N)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-methyl-2-adamantyl)propanedinitrile?
The InChIKey is DQQSIPCYIWYCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-14(13(7-15)8-16)11-3-9-2-10(5-11)6-12(14)4-9/h9-13H,2-6H2,1H3.
What are the key properties of 2-(2-methyl-2-adamantyl)propanedinitrile?
2-(2-methyl-2-adamantyl)propanedinitrile has a molecular weight of 214.31 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-adamantyl)propanedinitrile is sourced from PubChem (CID 10512829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).