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

C11H22N4 — CID 114539222

IUPAC2-amino-4-(3,4,5-trimethylpiperazin-1-yl)butanenitrile
SMILESCC1CN(CCC(N)C#N)CC(C)N1C
InChIInChI=1S/C11H22N4/c1-9-7-15(5-4-11(13)6-12)8-10(2)14(9)3/h9-11H,4-5,7-8,13H2,1-3H3
InChIKeyXCOPDKNMMJQSQQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.25
Rot. Bonds3

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

2-amino-4-(3,4,5-trimethylpiperazin-1-yl)butanenitrile (PubChem CID 114539222) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-amino-4-(3,4,5-trimethylpiperazin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-amino-4-(3,4,5-trimethylpiperazin-1-yl)butanenitrile
PubChem CID114539222
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-amino-4-(3,4,5-trimethylpiperazin-1-yl)butanenitrile
SMILESCC1CN(CCC(N)C#N)CC(C)N1C
InChIInChI=1S/C11H22N4/c1-9-7-15(5-4-11(13)6-12)8-10(2)14(9)3/h9-11H,4-5,7-8,13H2,1-3H3
InChIKeyXCOPDKNMMJQSQQ-UHFFFAOYSA-N
XLogP0.25
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[4-(dimethylamino)piperidin-1-yl]butanenitrile
CID 63027921
2-amino-4-(4-tert-butylpiperidin-1-yl)butanenitrile
CID 63027559
2-amino-4-(3-ethylpiperidin-1-yl)butanenitrile
CID 63028493
5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114537725
2-amino-4-(1-oxo-1,4-thiazinan-4-yl)butanenitrile
CID 63030266
2-amino-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile
CID 63635758
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-aminobutanenitrile
CID 79943861
(2S,6R)-4-ethyl-1,2,6-trimethylpiperazine
CID 138484607
2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile
CID 114539184
4-butyl-1,2,6-trimethylpiperazine
CID 126991132
2-amino-4-(3,5-dimethylcyclohexyl)oxybutanenitrile
CID 64728636
2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114547158

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4,5-trimethylpiperazin-1-yl)butanenitrile?
The IUPAC name of 2-amino-4-(3,4,5-trimethylpiperazin-1-yl)butanenitrile (CID 114539222) is 2-amino-4-(3,4,5-trimethylpiperazin-1-yl)butanenitrile.
What is the SMILES notation for 2-amino-4-(3,4,5-trimethylpiperazin-1-yl)butanenitrile?
The canonical SMILES for 2-amino-4-(3,4,5-trimethylpiperazin-1-yl)butanenitrile is CC1CN(CCC(N)C#N)CC(C)N1C.
What is the InChIKey of 2-amino-4-(3,4,5-trimethylpiperazin-1-yl)butanenitrile?
The InChIKey is XCOPDKNMMJQSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-9-7-15(5-4-11(13)6-12)8-10(2)14(9)3/h9-11H,4-5,7-8,13H2,1-3H3.
What are the key properties of 2-amino-4-(3,4,5-trimethylpiperazin-1-yl)butanenitrile?
2-amino-4-(3,4,5-trimethylpiperazin-1-yl)butanenitrile has a molecular weight of 210.32 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4,5-trimethylpiperazin-1-yl)butanenitrile is sourced from PubChem (CID 114539222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).