2-(1-methylpyrrolidin-2-yl)-3-(1-methylpyrrolidin-3-yl)-2-pyrrolidin-3-ylpyrrolidine

C18H34N4 — CID 90879397

IUPAC2-(1-methylpyrrolidin-2-yl)-3-(1-methylpyrrolidin-3-yl)-2-pyrrolidin-3-ylpyrrolidine
SMILESCN1CCC(C2CCNC2(C2CCNC2)C2CCCN2C)C1
InChIInChI=1S/C18H34N4/c1-21-11-7-14(13-21)16-6-9-20-18(16,15-5-8-19-12-15)17-4-3-10-22(17)2/h14-17,19-20H,3-13H2,1-2H3
InChIKeyDQGBXUZUYSJVGL-UHFFFAOYSA-N
MW306.50 g/mol
LogP0.99
Rot. Bonds3

About 2-(1-methylpyrrolidin-2-yl)-3-(1-methylpyrrolidin-3-yl)-2-pyrrolidin-3-ylpyrrolidine

2-(1-methylpyrrolidin-2-yl)-3-(1-methylpyrrolidin-3-yl)-2-pyrrolidin-3-ylpyrrolidine (PubChem CID 90879397) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)-3-(1-methylpyrrolidin-3-yl)-2-pyrrolidin-3-ylpyrrolidine.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)-3-(1-methylpyrrolidin-3-yl)-2-pyrrolidin-3-ylpyrrolidine
PubChem CID90879397
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name2-(1-methylpyrrolidin-2-yl)-3-(1-methylpyrrolidin-3-yl)-2-pyrrolidin-3-ylpyrrolidine
SMILESCN1CCC(C2CCNC2(C2CCNC2)C2CCCN2C)C1
InChIInChI=1S/C18H34N4/c1-21-11-7-14(13-21)16-6-9-20-18(16,15-5-8-19-12-15)17-4-3-10-22(17)2/h14-17,19-20H,3-13H2,1-2H3
InChIKeyDQGBXUZUYSJVGL-UHFFFAOYSA-N
XLogP0.99
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)-3-(1-methylpyrrolidin-3-yl)-2-pyrrolidin-3-ylpyrrolidine?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)-3-(1-methylpyrrolidin-3-yl)-2-pyrrolidin-3-ylpyrrolidine (CID 90879397) is 2-(1-methylpyrrolidin-2-yl)-3-(1-methylpyrrolidin-3-yl)-2-pyrrolidin-3-ylpyrrolidine.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)-3-(1-methylpyrrolidin-3-yl)-2-pyrrolidin-3-ylpyrrolidine?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)-3-(1-methylpyrrolidin-3-yl)-2-pyrrolidin-3-ylpyrrolidine is CN1CCC(C2CCNC2(C2CCNC2)C2CCCN2C)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)-3-(1-methylpyrrolidin-3-yl)-2-pyrrolidin-3-ylpyrrolidine?
The InChIKey is DQGBXUZUYSJVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-21-11-7-14(13-21)16-6-9-20-18(16,15-5-8-19-12-15)17-4-3-10-22(17)2/h14-17,19-20H,3-13H2,1-2H3.
What are the key properties of 2-(1-methylpyrrolidin-2-yl)-3-(1-methylpyrrolidin-3-yl)-2-pyrrolidin-3-ylpyrrolidine?
2-(1-methylpyrrolidin-2-yl)-3-(1-methylpyrrolidin-3-yl)-2-pyrrolidin-3-ylpyrrolidine has a molecular weight of 306.50 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)-3-(1-methylpyrrolidin-3-yl)-2-pyrrolidin-3-ylpyrrolidine is sourced from PubChem (CID 90879397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).