3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine

C25H49N5O4 — CID 155396876

IUPAC3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine
SMILESC#CCOCCOCCOCCOCCN1CCN(CCCN2CCN(CCCN)CC2)CC1
InChIInChI=1S/C25H49N5O4/c1-2-18-31-20-22-33-24-25-34-23-21-32-19-17-30-15-13-29(14-16-30)8-4-7-28-11-9-27(10-12-28)6-3-5-26/h1H,3-26H2
InChIKeySNASBSONTZCZHR-UHFFFAOYSA-N
MW483.70 g/mol
LogP-0.34
Rot. Bonds20

About 3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine

3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine (PubChem CID 155396876) has the molecular formula C25H49N5O4 and a molecular weight of 483.70 g/mol. Its IUPAC name is 3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine
PubChem CID155396876
Molecular FormulaC25H49N5O4
Molecular Weight483.70 g/mol
Exact Mass483.38
IUPAC Name3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine
SMILESC#CCOCCOCCOCCOCCN1CCN(CCCN2CCN(CCCN)CC2)CC1
InChIInChI=1S/C25H49N5O4/c1-2-18-31-20-22-33-24-25-34-23-21-32-19-17-30-15-13-29(14-16-30)8-4-7-28-11-9-27(10-12-28)6-3-5-26/h1H,3-26H2
InChIKeySNASBSONTZCZHR-UHFFFAOYSA-N
XLogP-0.34
TPSA75.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.70
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine
CID 155396862
2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol
CID 61070861
CID 172894425
CID 172894425
3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine
CID 170951585
3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine
CID 103178059
4-prop-2-ynoxybutan-1-amine
CID 126972070
3-prop-2-ynoxypropan-1-amine;hydrochloride
CID 154853238
5-(2-pyrrolidin-1-ylethoxy)pentan-1-amine
CID 62458957
tert-butyl N-[3-[4-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]carbamate
CID 176953652
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
ethane;2-(2-prop-2-ynoxyethoxy)ethanamine
CID 144801544
3-[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]propan-1-amine
CID 43457106

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine (CID 155396876) is 3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine is C#CCOCCOCCOCCOCCN1CCN(CCCN2CCN(CCCN)CC2)CC1.
What is the InChIKey of 3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine?
The InChIKey is SNASBSONTZCZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49N5O4/c1-2-18-31-20-22-33-24-25-34-23-21-32-19-17-30-15-13-29(14-16-30)8-4-7-28-11-9-27(10-12-28)6-3-5-26/h1H,3-26H2.
What are the key properties of 3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine?
3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine has a molecular weight of 483.70 g/mol, XLogP of -0.34, 20 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 155396876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).