2-(1-adamantyl)-3-methylbutanenitrile

C15H23N — CID 584832

IUPAC2-(1-adamantyl)-3-methylbutanenitrile
SMILESCC(C)C(C#N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23N/c1-10(2)14(9-16)15-6-11-3-12(7-15)5-13(4-11)8-15/h10-14H,3-8H2,1-2H3
InChIKeyVNHPMNRWANRSSY-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.00
Rot. Bonds2

About 2-(1-adamantyl)-3-methylbutanenitrile

2-(1-adamantyl)-3-methylbutanenitrile (PubChem CID 584832) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-(1-adamantyl)-3-methylbutanenitrile.

Molecular Properties

Compound Name2-(1-adamantyl)-3-methylbutanenitrile
PubChem CID584832
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-(1-adamantyl)-3-methylbutanenitrile
SMILESCC(C)C(C#N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23N/c1-10(2)14(9-16)15-6-11-3-12(7-15)5-13(4-11)8-15/h10-14H,3-8H2,1-2H3
InChIKeyVNHPMNRWANRSSY-UHFFFAOYSA-N
XLogP4.00
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-3-methylbutanenitrile?
The IUPAC name of 2-(1-adamantyl)-3-methylbutanenitrile (CID 584832) is 2-(1-adamantyl)-3-methylbutanenitrile.
What is the SMILES notation for 2-(1-adamantyl)-3-methylbutanenitrile?
The canonical SMILES for 2-(1-adamantyl)-3-methylbutanenitrile is CC(C)C(C#N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-3-methylbutanenitrile?
The InChIKey is VNHPMNRWANRSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-10(2)14(9-16)15-6-11-3-12(7-15)5-13(4-11)8-15/h10-14H,3-8H2,1-2H3.
What are the key properties of 2-(1-adamantyl)-3-methylbutanenitrile?
2-(1-adamantyl)-3-methylbutanenitrile has a molecular weight of 217.36 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-3-methylbutanenitrile is sourced from PubChem (CID 584832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).