2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-2-[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]ethanamine

C22H43N5 — CID 155400336

IUPAC2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-2-[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]ethanamine
SMILESC1CCN(CCNCC(C2CCN(CCN3CCCC3)C2)N2CCCC2)C1
InChIInChI=1S/C22H43N5/c1-2-10-24(9-1)16-8-23-19-22(27-13-5-6-14-27)21-7-15-26(20-21)18-17-25-11-3-4-12-25/h21-23H,1-20H2
InChIKeyHPYXPCMZDSDXPV-UHFFFAOYSA-N
MW377.62 g/mol
LogP1.55
Rot. Bonds10

About 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-2-[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]ethanamine

2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-2-[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]ethanamine (PubChem CID 155400336) has the molecular formula C22H43N5 and a molecular weight of 377.62 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-2-[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-2-[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]ethanamine
PubChem CID155400336
Molecular FormulaC22H43N5
Molecular Weight377.62 g/mol
Exact Mass377.35
IUPAC Name2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-2-[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]ethanamine
SMILESC1CCN(CCNCC(C2CCN(CCN3CCCC3)C2)N2CCCC2)C1
InChIInChI=1S/C22H43N5/c1-2-10-24(9-1)16-8-23-19-22(27-13-5-6-14-27)21-7-15-26(20-21)18-17-25-11-3-4-12-25/h21-23H,1-20H2
InChIKeyHPYXPCMZDSDXPV-UHFFFAOYSA-N
XLogP1.55
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.62
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-2-[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-2-[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]ethanamine (CID 155400336) is 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-2-[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-2-[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-2-[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]ethanamine is C1CCN(CCNCC(C2CCN(CCN3CCCC3)C2)N2CCCC2)C1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-2-[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is HPYXPCMZDSDXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N5/c1-2-10-24(9-1)16-8-23-19-22(27-13-5-6-14-27)21-7-15-26(20-21)18-17-25-11-3-4-12-25/h21-23H,1-20H2.
What are the key properties of 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-2-[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]ethanamine?
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-2-[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 377.62 g/mol, XLogP of 1.55, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)-2-[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 155400336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).