2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine

C13H28N4 — CID 117237209

IUPAC2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine
SMILESCC(C)N1CCC(C(N)CN2CCNCC2)C1
InChIInChI=1S/C13H28N4/c1-11(2)17-6-3-12(9-17)13(14)10-16-7-4-15-5-8-16/h11-13,15H,3-10,14H2,1-2H3
InChIKeyNQSJUXYSUOTBRB-UHFFFAOYSA-N
MW240.39 g/mol
LogP-0.05
Rot. Bonds4

About 2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine

2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine (PubChem CID 117237209) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine
PubChem CID117237209
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine
SMILESCC(C)N1CCC(C(N)CN2CCNCC2)C1
InChIInChI=1S/C13H28N4/c1-11(2)17-6-3-12(9-17)13(14)10-16-7-4-15-5-8-16/h11-13,15H,3-10,14H2,1-2H3
InChIKeyNQSJUXYSUOTBRB-UHFFFAOYSA-N
XLogP-0.05
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-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

Related Compounds

2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 117238624
(1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940860
(1R)-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940785
1-cyclohexyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 113448062
3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine
CID 117237666
2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237616
1-(2-cycloheptylpropyl)piperazine
CID 82509737
2-methyl-1-piperazin-1-ylhexan-3-amine
CID 116946597
ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 176573515
1-ethylpiperazine;1-propan-2-ylpiperazine
CID 70370755
1-[4-(1-propan-2-ylpyrrolidin-3-yl)but-2-ynyl]piperazine
CID 117269521
3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237668

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine (CID 117237209) is 2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine is CC(C)N1CCC(C(N)CN2CCNCC2)C1.
What is the InChIKey of 2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine?
The InChIKey is NQSJUXYSUOTBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-11(2)17-6-3-12(9-17)13(14)10-16-7-4-15-5-8-16/h11-13,15H,3-10,14H2,1-2H3.
What are the key properties of 2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine?
2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine has a molecular weight of 240.39 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 117237209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).