2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile

C12H24N4 — CID 114539184

IUPAC2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile
SMILESCCNC(C#N)CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C12H24N4/c1-5-14-12(6-13)9-16-7-10(2)15(4)11(3)8-16/h10-12,14H,5,7-9H2,1-4H3
InChIKeyJEEPPLQAQRNZOO-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.51
Rot. Bonds4

About 2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile

2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile (PubChem CID 114539184) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile
PubChem CID114539184
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile
SMILESCCNC(C#N)CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C12H24N4/c1-5-14-12(6-13)9-16-7-10(2)15(4)11(3)8-16/h10-12,14H,5,7-9H2,1-4H3
InChIKeyJEEPPLQAQRNZOO-UHFFFAOYSA-N
XLogP0.51
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile
CID 63635760
N-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine
CID 114537771
4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)butanenitrile
CID 79183421
2-(ethylamino)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile
CID 66371946
2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile
CID 81198797
2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile
CID 63028079
2-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile
CID 114596282
3-(4-cyclopentylpiperazin-1-yl)-2-(ethylamino)propanenitrile
CID 62367966
2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile
CID 63029058
N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)hexan-3-amine
CID 106800125
(2S,6S)-1,2,6-trimethyl-4-(2-methylpropyl)piperazine
CID 171515774
2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile
CID 63027552

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile?
The IUPAC name of 2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile (CID 114539184) is 2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile.
What is the SMILES notation for 2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile?
The canonical SMILES for 2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile is CCNC(C#N)CN1CC(C)N(C)C(C)C1.
What is the InChIKey of 2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile?
The InChIKey is JEEPPLQAQRNZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-14-12(6-13)9-16-7-10(2)15(4)11(3)8-16/h10-12,14H,5,7-9H2,1-4H3.
What are the key properties of 2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile?
2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile has a molecular weight of 224.35 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile is sourced from PubChem (CID 114539184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).