2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile

C12H20N4O — CID 114186188

IUPAC2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile
SMILESCc1noc(CCNCCCC(C)(C)C#N)n1
InChIInChI=1S/C12H20N4O/c1-10-15-11(17-16-10)5-8-14-7-4-6-12(2,3)9-13/h14H,4-8H2,1-3H3
InChIKeyOZGOJBRXTVDXRY-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.84
Rot. Bonds7

About 2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile

2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile (PubChem CID 114186188) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile
PubChem CID114186188
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile
SMILESCc1noc(CCNCCCC(C)(C)C#N)n1
InChIInChI=1S/C12H20N4O/c1-10-15-11(17-16-10)5-8-14-7-4-6-12(2,3)9-13/h14H,4-8H2,1-3H3
InChIKeyOZGOJBRXTVDXRY-UHFFFAOYSA-N
XLogP1.84
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile
CID 65249357
N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine
CID 106416784
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol
CID 106416605
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-en-1-amine
CID 106417246
N-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]acetamide
CID 106416797
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 104871455
5-(ethylamino)-2,2-dimethylpentanenitrile
CID 65256305
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106416371
2-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-oxazole-4-carbonitrile
CID 154811073
2,2-dimethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106414051
N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide
CID 106417469

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile (CID 114186188) is 2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile is Cc1noc(CCNCCCC(C)(C)C#N)n1.
What is the InChIKey of 2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile?
The InChIKey is OZGOJBRXTVDXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10-15-11(17-16-10)5-8-14-7-4-6-12(2,3)9-13/h14H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile?
2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile has a molecular weight of 236.32 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile is sourced from PubChem (CID 114186188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).