2-(pyrrolidin-1-ylmethyl)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidine

C17H32N4 — CID 139379701

IUPAC2-(pyrrolidin-1-ylmethyl)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidine
SMILESC1CCN(CC2NCCC2N2CCC(N3CCCC3)C2)C1
InChIInChI=1S/C17H32N4/c1-2-9-19(8-1)14-16-17(5-7-18-16)21-12-6-15(13-21)20-10-3-4-11-20/h15-18H,1-14H2
InChIKeyRHYPCBRYNDALTB-UHFFFAOYSA-N
MW292.47 g/mol
LogP0.98
Rot. Bonds4

About 2-(pyrrolidin-1-ylmethyl)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidine

2-(pyrrolidin-1-ylmethyl)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidine (PubChem CID 139379701) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidine.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidine
PubChem CID139379701
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-(pyrrolidin-1-ylmethyl)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidine
SMILESC1CCN(CC2NCCC2N2CCC(N3CCCC3)C2)C1
InChIInChI=1S/C17H32N4/c1-2-9-19(8-1)14-16-17(5-7-18-16)21-12-6-15(13-21)20-10-3-4-11-20/h15-18H,1-14H2
InChIKeyRHYPCBRYNDALTB-UHFFFAOYSA-N
XLogP0.98
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidine?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidine (CID 139379701) is 2-(pyrrolidin-1-ylmethyl)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidine.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidine?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidine is C1CCN(CC2NCCC2N2CCC(N3CCCC3)C2)C1.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidine?
The InChIKey is RHYPCBRYNDALTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-2-9-19(8-1)14-16-17(5-7-18-16)21-12-6-15(13-21)20-10-3-4-11-20/h15-18H,1-14H2.
What are the key properties of 2-(pyrrolidin-1-ylmethyl)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidine?
2-(pyrrolidin-1-ylmethyl)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidine has a molecular weight of 292.47 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidine is sourced from PubChem (CID 139379701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).