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

C12H24N4 — CID 62773087

IUPAC2-amino-3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile
SMILESCCC(C)N1CCN(CC(C)(N)C#N)CC1
InChIInChI=1S/C12H24N4/c1-4-11(2)16-7-5-15(6-8-16)10-12(3,14)9-13/h11H,4-8,10,14H2,1-3H3
InChIKeyOIPRBQHGUZEIOW-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.64
Rot. Bonds4

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

2-amino-3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile (PubChem CID 62773087) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-amino-3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-amino-3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile
PubChem CID62773087
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-amino-3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile
SMILESCCC(C)N1CCN(CC(C)(N)C#N)CC1
InChIInChI=1S/C12H24N4/c1-4-11(2)16-7-5-15(6-8-16)10-12(3,14)9-13/h11H,4-8,10,14H2,1-3H3
InChIKeyOIPRBQHGUZEIOW-UHFFFAOYSA-N
XLogP0.64
TPSA56.29 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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine
CID 122645241
1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine
CID 62775737
3-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63913794
2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile
CID 62772513
3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile
CID 62772469
3-(4-butan-2-ylpiperazin-1-yl)butanenitrile
CID 62773827
5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile
CID 62774224
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine
CID 62774634
3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 64788397
3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64788398
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 62773673
1-butan-2-yl-4-(2-methoxyethyl)piperazine
CID 147045580

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile?
The IUPAC name of 2-amino-3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile (CID 62773087) is 2-amino-3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-amino-3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-amino-3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile is CCC(C)N1CCN(CC(C)(N)C#N)CC1.
What is the InChIKey of 2-amino-3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile?
The InChIKey is OIPRBQHGUZEIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-11(2)16-7-5-15(6-8-16)10-12(3,14)9-13/h11H,4-8,10,14H2,1-3H3.
What are the key properties of 2-amino-3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile?
2-amino-3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile has a molecular weight of 224.35 g/mol, XLogP of 0.64, 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)-2-methylpropanenitrile is sourced from PubChem (CID 62773087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).