2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile

C14H26N4 — CID 63912920

IUPAC2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile
SMILESCC(C)(C)N1CCN(CC(N)(C#N)C2CC2)CC1
InChIInChI=1S/C14H26N4/c1-13(2,3)18-8-6-17(7-9-18)11-14(16,10-15)12-4-5-12/h12H,4-9,11,16H2,1-3H3
InChIKeyGADBYZZMNDICBD-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.03
Rot. Bonds3

About 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile

2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile (PubChem CID 63912920) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile.

Molecular Properties

Compound Name2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile
PubChem CID63912920
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile
SMILESCC(C)(C)N1CCN(CC(N)(C#N)C2CC2)CC1
InChIInChI=1S/C14H26N4/c1-13(2,3)18-8-6-17(7-9-18)11-14(16,10-15)12-4-5-12/h12H,4-9,11,16H2,1-3H3
InChIKeyGADBYZZMNDICBD-UHFFFAOYSA-N
XLogP1.03
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile?
The IUPAC name of 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile (CID 63912920) is 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile.
What is the SMILES notation for 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile?
The canonical SMILES for 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile is CC(C)(C)N1CCN(CC(N)(C#N)C2CC2)CC1.
What is the InChIKey of 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile?
The InChIKey is GADBYZZMNDICBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-13(2,3)18-8-6-17(7-9-18)11-14(16,10-15)12-4-5-12/h12H,4-9,11,16H2,1-3H3.
What are the key properties of 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile?
2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile has a molecular weight of 250.39 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile is sourced from PubChem (CID 63912920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).