2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile

C14H28N4 — CID 106803653

IUPAC2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile
SMILESCCC(N)(C#N)CCCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C14H28N4/c1-5-14(16,11-15)7-6-8-18-10-9-17(4)13(2,3)12-18/h5-10,12,16H2,1-4H3
InChIKeyQRLWHAKQKNSKMM-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.42
Rot. Bonds5

About 2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile

2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile (PubChem CID 106803653) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile
PubChem CID106803653
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile
SMILESCCC(N)(C#N)CCCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C14H28N4/c1-5-14(16,11-15)7-6-8-18-10-9-17(4)13(2,3)12-18/h5-10,12,16H2,1-4H3
InChIKeyQRLWHAKQKNSKMM-UHFFFAOYSA-N
XLogP1.42
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile
CID 106803381
ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate
CID 63633515
2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol
CID 106808752
2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine
CID 79810631
2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 65254593
2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile
CID 106803746
2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-ethylpentanenitrile
CID 106803570
2,2-dimethyl-4-(3,3,4-trimethylpiperazin-1-yl)butanethioamide
CID 65249097
2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63635964
6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
CID 63608610

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile?
The IUPAC name of 2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile (CID 106803653) is 2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile.
What is the SMILES notation for 2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile?
The canonical SMILES for 2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile is CCC(N)(C#N)CCCN1CCN(C)C(C)(C)C1.
What is the InChIKey of 2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile?
The InChIKey is QRLWHAKQKNSKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-14(16,11-15)7-6-8-18-10-9-17(4)13(2,3)12-18/h5-10,12,16H2,1-4H3.
What are the key properties of 2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile?
2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile has a molecular weight of 252.41 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile is sourced from PubChem (CID 106803653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).