1-[2-[2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine;dihydrochloride

C22H38Cl2N2 — CID 163337678

IUPAC1-[2-[2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine;dihydrochloride
SMILESC=CCC1CCC(CC=C)N1CCN1C(CC=C)CCC1CC=C.Cl.Cl
InChIInChI=1S/C22H36N2.2ClH/c1-5-9-19-13-14-20(10-6-2)23(19)17-18-24-21(11-7-3)15-16-22(24)12-8-4;;/h5-8,19-22H,1-4,9-18H2;2*1H
InChIKeyLHEICYPXTRMAKK-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.80
Rot. Bonds11

About 1-[2-[2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine;dihydrochloride

1-[2-[2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine;dihydrochloride (PubChem CID 163337678) has the molecular formula C22H38Cl2N2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[2-[2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine;dihydrochloride.

Molecular Properties

Compound Name1-[2-[2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine;dihydrochloride
PubChem CID163337678
Molecular FormulaC22H38Cl2N2
Molecular Weight401.47 g/mol
Exact Mass400.24
IUPAC Name1-[2-[2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine;dihydrochloride
SMILESC=CCC1CCC(CC=C)N1CCN1C(CC=C)CCC1CC=C.Cl.Cl
InChIInChI=1S/C22H36N2.2ClH/c1-5-9-19-13-14-20(10-6-2)23(19)17-18-24-21(11-7-3)15-16-22(24)12-8-4;;/h5-8,19-22H,1-4,9-18H2;2*1H
InChIKeyLHEICYPXTRMAKK-UHFFFAOYSA-N
XLogP5.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine;dihydrochloride?
The IUPAC name of 1-[2-[2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine;dihydrochloride (CID 163337678) is 1-[2-[2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine;dihydrochloride.
What is the SMILES notation for 1-[2-[2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine;dihydrochloride?
The canonical SMILES for 1-[2-[2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine;dihydrochloride is C=CCC1CCC(CC=C)N1CCN1C(CC=C)CCC1CC=C.Cl.Cl.
What is the InChIKey of 1-[2-[2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine;dihydrochloride?
The InChIKey is LHEICYPXTRMAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2.2ClH/c1-5-9-19-13-14-20(10-6-2)23(19)17-18-24-21(11-7-3)15-16-22(24)12-8-4;;/h5-8,19-22H,1-4,9-18H2;2*1H.
What are the key properties of 1-[2-[2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine;dihydrochloride?
1-[2-[2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine;dihydrochloride has a molecular weight of 401.47 g/mol, XLogP of 5.80, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine;dihydrochloride is sourced from PubChem (CID 163337678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).