2-(4-propan-2-ylpiperazin-1-yl)ethanamine

C9H21N3 — CID 4742414

IUPAC2-(4-propan-2-ylpiperazin-1-yl)ethanamine
SMILESCC(C)N1CCN(CCN)CC1
InChIInChI=1S/C9H21N3/c1-9(2)12-7-5-11(4-3-10)6-8-12/h9H,3-8,10H2,1-2H3
InChIKeyAIGDWIXUUOVPGQ-UHFFFAOYSA-N
MW171.29 g/mol
LogP-0.03
Rot. Bonds3

About 2-(4-propan-2-ylpiperazin-1-yl)ethanamine

2-(4-propan-2-ylpiperazin-1-yl)ethanamine (PubChem CID 4742414) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)ethanamine
PubChem CID4742414
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)ethanamine
SMILESCC(C)N1CCN(CCN)CC1
InChIInChI=1S/C9H21N3/c1-9(2)12-7-5-11(4-3-10)6-8-12/h9H,3-8,10H2,1-2H3
InChIKeyAIGDWIXUUOVPGQ-UHFFFAOYSA-N
XLogP-0.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-propan-2-ylpiperazin-1-yl)ethanamine 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-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)ethanamine (CID 4742414) is 2-(4-propan-2-ylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)ethanamine is CC(C)N1CCN(CCN)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The InChIKey is AIGDWIXUUOVPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-9(2)12-7-5-11(4-3-10)6-8-12/h9H,3-8,10H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
2-(4-propan-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 171.29 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 4742414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).