2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile

C11H22N4 — CID 62772513

IUPAC2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile
SMILESCCC(C)N1CCN(CC(N)C#N)CC1
InChIInChI=1S/C11H22N4/c1-3-10(2)15-6-4-14(5-7-15)9-11(13)8-12/h10-11H,3-7,9,13H2,1-2H3
InChIKeyLXSUPYPBCCMBCH-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.25
Rot. Bonds4

About 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile

2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile (PubChem CID 62772513) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile
PubChem CID62772513
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile
SMILESCCC(C)N1CCN(CC(N)C#N)CC1
InChIInChI=1S/C11H22N4/c1-3-10(2)15-6-4-14(5-7-15)9-11(13)8-12/h10-11H,3-7,9,13H2,1-2H3
InChIKeyLXSUPYPBCCMBCH-UHFFFAOYSA-N
XLogP0.25
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile
CID 62772469
2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol
CID 64786472
2-amino-3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile
CID 62773087
3-(4-butan-2-ylpiperazin-1-yl)butanenitrile
CID 62773827
5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile
CID 62774224
1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine
CID 62774213
4-(4-ethylpiperazin-1-yl)pentan-2-amine
CID 64707978
2-amino-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile
CID 63635758
1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine
CID 122645241
1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine
CID 65012847
2-[4-(2,2-difluoroethyl)piperazin-1-yl]butanenitrile
CID 55219345
4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
CID 43252810

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile?
The IUPAC name of 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile (CID 62772513) is 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile.
What is the SMILES notation for 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile?
The canonical SMILES for 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile is CCC(C)N1CCN(CC(N)C#N)CC1.
What is the InChIKey of 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile?
The InChIKey is LXSUPYPBCCMBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-3-10(2)15-6-4-14(5-7-15)9-11(13)8-12/h10-11H,3-7,9,13H2,1-2H3.
What are the key properties of 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile?
2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile has a molecular weight of 210.32 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile is sourced from PubChem (CID 62772513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).