2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile

C14H27N3 — CID 106803381

IUPAC2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile
SMILESCCC1CCN(CCCC(N)(C#N)CC)CC1
InChIInChI=1S/C14H27N3/c1-3-13-6-10-17(11-7-13)9-5-8-14(16,4-2)12-15/h13H,3-11,16H2,1-2H3
InChIKeyKCNJNFXTQOIHEQ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.52
Rot. Bonds6

About 2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile

2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile (PubChem CID 106803381) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile
PubChem CID106803381
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile
SMILESCCC1CCN(CCCC(N)(C#N)CC)CC1
InChIInChI=1S/C14H27N3/c1-3-13-6-10-17(11-7-13)9-5-8-14(16,4-2)12-15/h13H,3-11,16H2,1-2H3
InChIKeyKCNJNFXTQOIHEQ-UHFFFAOYSA-N
XLogP2.52
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile
CID 106803746
2-amino-2-ethyl-5-pyrrolidin-1-ylpentanenitrile
CID 106802830
2-amino-2-ethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile
CID 106803558
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368
2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile
CID 106803653
2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile
CID 106803367
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-amino-2-ethylpentanenitrile
CID 106803113
2-(cyclopropylamino)-2-ethyl-5-(3-ethylpyrrolidin-1-yl)pentanenitrile
CID 106803966
2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile
CID 63912714
6-(4-ethylpiperidin-1-yl)-2,2-dimethylhexan-1-amine
CID 106707970
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide
CID 65259797
2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile
CID 113418574

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile?
The IUPAC name of 2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile (CID 106803381) is 2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile?
The canonical SMILES for 2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile is CCC1CCN(CCCC(N)(C#N)CC)CC1.
What is the InChIKey of 2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile?
The InChIKey is KCNJNFXTQOIHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-13-6-10-17(11-7-13)9-5-8-14(16,4-2)12-15/h13H,3-11,16H2,1-2H3.
What are the key properties of 2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile?
2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 106803381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).