1-(16-pyrrolidin-1-ylhexadecyl)pyrrolidine;dihydrochloride

C24H50Cl2N2 — CID 24741841

IUPAC1-(16-pyrrolidin-1-ylhexadecyl)pyrrolidine;dihydrochloride
SMILESC(CCCCCCCCN1CCCC1)CCCCCCCN1CCCC1.Cl.Cl
InChIInChI=1S/C24H48N2.2ClH/c1(3-5-7-9-11-13-19-25-21-15-16-22-25)2-4-6-8-10-12-14-20-26-23-17-18-24-26;;/h1-24H2;2*1H
InChIKeyZKMNOBYJBIPXOB-UHFFFAOYSA-N
MW437.58 g/mol
LogP7.48
Rot. Bonds17

About 1-(16-pyrrolidin-1-ylhexadecyl)pyrrolidine;dihydrochloride

1-(16-pyrrolidin-1-ylhexadecyl)pyrrolidine;dihydrochloride (PubChem CID 24741841) has the molecular formula C24H50Cl2N2 and a molecular weight of 437.58 g/mol. Its IUPAC name is 1-(16-pyrrolidin-1-ylhexadecyl)pyrrolidine;dihydrochloride.

Molecular Properties

Compound Name1-(16-pyrrolidin-1-ylhexadecyl)pyrrolidine;dihydrochloride
PubChem CID24741841
Molecular FormulaC24H50Cl2N2
Molecular Weight437.58 g/mol
Exact Mass436.34
IUPAC Name1-(16-pyrrolidin-1-ylhexadecyl)pyrrolidine;dihydrochloride
SMILESC(CCCCCCCCN1CCCC1)CCCCCCCN1CCCC1.Cl.Cl
InChIInChI=1S/C24H48N2.2ClH/c1(3-5-7-9-11-13-19-25-21-15-16-22-25)2-4-6-8-10-12-14-20-26-23-17-18-24-26;;/h1-24H2;2*1H
InChIKeyZKMNOBYJBIPXOB-UHFFFAOYSA-N
XLogP7.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(16-pyrrolidin-1-ylhexadecyl)pyrrolidine;dihydrochloride?
The IUPAC name of 1-(16-pyrrolidin-1-ylhexadecyl)pyrrolidine;dihydrochloride (CID 24741841) is 1-(16-pyrrolidin-1-ylhexadecyl)pyrrolidine;dihydrochloride.
What is the SMILES notation for 1-(16-pyrrolidin-1-ylhexadecyl)pyrrolidine;dihydrochloride?
The canonical SMILES for 1-(16-pyrrolidin-1-ylhexadecyl)pyrrolidine;dihydrochloride is C(CCCCCCCCN1CCCC1)CCCCCCCN1CCCC1.Cl.Cl.
What is the InChIKey of 1-(16-pyrrolidin-1-ylhexadecyl)pyrrolidine;dihydrochloride?
The InChIKey is ZKMNOBYJBIPXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2.2ClH/c1(3-5-7-9-11-13-19-25-21-15-16-22-25)2-4-6-8-10-12-14-20-26-23-17-18-24-26;;/h1-24H2;2*1H.
What are the key properties of 1-(16-pyrrolidin-1-ylhexadecyl)pyrrolidine;dihydrochloride?
1-(16-pyrrolidin-1-ylhexadecyl)pyrrolidine;dihydrochloride has a molecular weight of 437.58 g/mol, XLogP of 7.48, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(16-pyrrolidin-1-ylhexadecyl)pyrrolidine;dihydrochloride is sourced from PubChem (CID 24741841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).