2-(4-but-3-ynylpiperazin-1-yl)ethanamine

C10H19N3 — CID 170918250

IUPAC2-(4-but-3-ynylpiperazin-1-yl)ethanamine
SMILESC#CCCN1CCN(CCN)CC1
InChIInChI=1S/C10H19N3/c1-2-3-5-12-7-9-13(6-4-11)10-8-12/h1H,3-11H2
InChIKeyBFYBMXWEGWTHOX-UHFFFAOYSA-N
MW181.28 g/mol
LogP-0.41
Rot. Bonds4

About 2-(4-but-3-ynylpiperazin-1-yl)ethanamine

2-(4-but-3-ynylpiperazin-1-yl)ethanamine (PubChem CID 170918250) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(4-but-3-ynylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-but-3-ynylpiperazin-1-yl)ethanamine
PubChem CID170918250
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-(4-but-3-ynylpiperazin-1-yl)ethanamine
SMILESC#CCCN1CCN(CCN)CC1
InChIInChI=1S/C10H19N3/c1-2-3-5-12-7-9-13(6-4-11)10-8-12/h1H,3-11H2
InChIKeyBFYBMXWEGWTHOX-UHFFFAOYSA-N
XLogP-0.41
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-but-3-ynyl-4-methylpiperazine
CID 11593463
1-but-3-ynylazetidine
CID 130164474
1-but-3-ynylpiperazine
CID 24700258
2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine
CID 155396862
1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride
CID 66545499
1-but-3-ynylpiperazine;hydrochloride
CID 171379591
2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine
CID 80698853
methane;2-piperidin-1-ylethanamine
CID 158303452
2-(aziridin-1-yl)ethanamine;dichloronickel
CID 15821369
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
2-(4-iodopiperazin-1-yl)ethanamine
CID 89179522
1-but-3-ynylazetidin-3-amine
CID 65249733

Frequently Asked Questions

What is the IUPAC name of 2-(4-but-3-ynylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-but-3-ynylpiperazin-1-yl)ethanamine (CID 170918250) is 2-(4-but-3-ynylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-but-3-ynylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-but-3-ynylpiperazin-1-yl)ethanamine is C#CCCN1CCN(CCN)CC1.
What is the InChIKey of 2-(4-but-3-ynylpiperazin-1-yl)ethanamine?
The InChIKey is BFYBMXWEGWTHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-2-3-5-12-7-9-13(6-4-11)10-8-12/h1H,3-11H2.
What are the key properties of 2-(4-but-3-ynylpiperazin-1-yl)ethanamine?
2-(4-but-3-ynylpiperazin-1-yl)ethanamine has a molecular weight of 181.28 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-3-ynylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 170918250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).