2-(1-adamantyl)pentanenitrile

C15H23N — CID 4183520

IUPAC2-(1-adamantyl)pentanenitrile
SMILESCCCC(C#N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23N/c1-2-3-14(10-16)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-14H,2-9H2,1H3
InChIKeyWOVOGVXPAVNNRD-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.14
Rot. Bonds3

About 2-(1-adamantyl)pentanenitrile

2-(1-adamantyl)pentanenitrile (PubChem CID 4183520) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-(1-adamantyl)pentanenitrile.

Molecular Properties

Compound Name2-(1-adamantyl)pentanenitrile
PubChem CID4183520
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-(1-adamantyl)pentanenitrile
SMILESCCCC(C#N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23N/c1-2-3-14(10-16)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-14H,2-9H2,1H3
InChIKeyWOVOGVXPAVNNRD-UHFFFAOYSA-N
XLogP4.14
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyanoadamantane
CID 90878
Tricyclo(3.3.1.13,7)decane-1-acetonitrile
CID 140052
(1R,2R,3aS,5S,5aR,8S,8aS,10aS,10bS,10cS)-1,2,5,8-tetramethyl-2,3,3a,4,5,5a,6,7,8a,9,10,10a,10b,10c-tetradecahydropyrene-1,8-dicarbonitrile
CID 44584209
3-(1-Adamantyl)propanenitrile
CID 3366901
Adamantane-2-carbonitrile
CID 12254815
3,5-Dimethyladamantane-1-carbonitrile
CID 13540127
1,3,5,7-Tetracyanoadamantane
CID 12100448
2-Cyano-2-cyanomethyladamantane
CID 2732986
2-(1-Adamantyl)butanenitrile
CID 3538754
Adamantane-1,3-dicarbonitrile
CID 11148137
Butanenitrile, 2-(1-adamantyl)-3-methyl-
CID 584832
3-Methyladamantane-1-carbonitrile
CID 2795022

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)pentanenitrile?
The IUPAC name of 2-(1-adamantyl)pentanenitrile (CID 4183520) is 2-(1-adamantyl)pentanenitrile.
What is the SMILES notation for 2-(1-adamantyl)pentanenitrile?
The canonical SMILES for 2-(1-adamantyl)pentanenitrile is CCCC(C#N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)pentanenitrile?
The InChIKey is WOVOGVXPAVNNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-2-3-14(10-16)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-14H,2-9H2,1H3.
What are the key properties of 2-(1-adamantyl)pentanenitrile?
2-(1-adamantyl)pentanenitrile has a molecular weight of 217.36 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)pentanenitrile is sourced from PubChem (CID 4183520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).