5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile

C14H27N3 — CID 65257902

IUPAC5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile
SMILESCCC1CN(CCCC(C)(C)C#N)CCN1C
InChIInChI=1S/C14H27N3/c1-5-13-11-17(10-9-16(13)4)8-6-7-14(2,3)12-15/h13H,5-11H2,1-4H3
InChIKeyLNEFSVOIUZYAGK-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.34
Rot. Bonds5

About 5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile

5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile (PubChem CID 65257902) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile
PubChem CID65257902
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile
SMILESCCC1CN(CCCC(C)(C)C#N)CCN1C
InChIInChI=1S/C14H27N3/c1-5-13-11-17(10-9-16(13)4)8-6-7-14(2,3)12-15/h13H,5-11H2,1-4H3
InChIKeyLNEFSVOIUZYAGK-UHFFFAOYSA-N
XLogP2.34
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine
CID 65295738
2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanenitrile
CID 63634879
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile
CID 63634175
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79360842
5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile
CID 115302336
2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile
CID 115300536
2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol
CID 64790790
4-(4-bromobutyl)-2-ethyl-1-methylpiperazine
CID 63636075
5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 65257728
4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine
CID 63635899
5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 103897919
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile (CID 65257902) is 5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile is CCC1CN(CCCC(C)(C)C#N)CCN1C.
What is the InChIKey of 5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile?
The InChIKey is LNEFSVOIUZYAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-13-11-17(10-9-16(13)4)8-6-7-14(2,3)12-15/h13H,5-11H2,1-4H3.
What are the key properties of 5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile?
5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65257902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).