1-[2-[2-[4-[2-(2-pyrrolidin-1-ylcyclopentyl)propan-2-yl]phenyl]propan-2-yl]cyclopentyl]pyrrolidine

C30H48N2 — CID 173460583

IUPAC1-[2-[2-[4-[2-(2-pyrrolidin-1-ylcyclopentyl)propan-2-yl]phenyl]propan-2-yl]cyclopentyl]pyrrolidine
SMILESCC(C)(c1ccc(C(C)(C)C2CCCC2N2CCCC2)cc1)C1CCCC1N1CCCC1
InChIInChI=1S/C30H48N2/c1-29(2,25-11-9-13-27(25)31-19-5-6-20-31)23-15-17-24(18-16-23)30(3,4)26-12-10-14-28(26)32-21-7-8-22-32/h15-18,25-28H,5-14,19-22H2,1-4H3
InChIKeyGZUCUJSNESECCQ-UHFFFAOYSA-N
MW436.73 g/mol
LogP6.77
Rot. Bonds6

About 1-[2-[2-[4-[2-(2-pyrrolidin-1-ylcyclopentyl)propan-2-yl]phenyl]propan-2-yl]cyclopentyl]pyrrolidine

1-[2-[2-[4-[2-(2-pyrrolidin-1-ylcyclopentyl)propan-2-yl]phenyl]propan-2-yl]cyclopentyl]pyrrolidine (PubChem CID 173460583) has the molecular formula C30H48N2 and a molecular weight of 436.73 g/mol. Its IUPAC name is 1-[2-[2-[4-[2-(2-pyrrolidin-1-ylcyclopentyl)propan-2-yl]phenyl]propan-2-yl]cyclopentyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[2-[4-[2-(2-pyrrolidin-1-ylcyclopentyl)propan-2-yl]phenyl]propan-2-yl]cyclopentyl]pyrrolidine
PubChem CID173460583
Molecular FormulaC30H48N2
Molecular Weight436.73 g/mol
Exact Mass436.38
IUPAC Name1-[2-[2-[4-[2-(2-pyrrolidin-1-ylcyclopentyl)propan-2-yl]phenyl]propan-2-yl]cyclopentyl]pyrrolidine
SMILESCC(C)(c1ccc(C(C)(C)C2CCCC2N2CCCC2)cc1)C1CCCC1N1CCCC1
InChIInChI=1S/C30H48N2/c1-29(2,25-11-9-13-27(25)31-19-5-6-20-31)23-15-17-24(18-16-23)30(3,4)26-12-10-14-28(26)32-21-7-8-22-32/h15-18,25-28H,5-14,19-22H2,1-4H3
InChIKeyGZUCUJSNESECCQ-UHFFFAOYSA-N
XLogP6.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.73
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[4-[2-(2-pyrrolidin-1-ylcyclopentyl)propan-2-yl]phenyl]propan-2-yl]cyclopentyl]pyrrolidine?
The IUPAC name of 1-[2-[2-[4-[2-(2-pyrrolidin-1-ylcyclopentyl)propan-2-yl]phenyl]propan-2-yl]cyclopentyl]pyrrolidine (CID 173460583) is 1-[2-[2-[4-[2-(2-pyrrolidin-1-ylcyclopentyl)propan-2-yl]phenyl]propan-2-yl]cyclopentyl]pyrrolidine.
What is the SMILES notation for 1-[2-[2-[4-[2-(2-pyrrolidin-1-ylcyclopentyl)propan-2-yl]phenyl]propan-2-yl]cyclopentyl]pyrrolidine?
The canonical SMILES for 1-[2-[2-[4-[2-(2-pyrrolidin-1-ylcyclopentyl)propan-2-yl]phenyl]propan-2-yl]cyclopentyl]pyrrolidine is CC(C)(c1ccc(C(C)(C)C2CCCC2N2CCCC2)cc1)C1CCCC1N1CCCC1.
What is the InChIKey of 1-[2-[2-[4-[2-(2-pyrrolidin-1-ylcyclopentyl)propan-2-yl]phenyl]propan-2-yl]cyclopentyl]pyrrolidine?
The InChIKey is GZUCUJSNESECCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N2/c1-29(2,25-11-9-13-27(25)31-19-5-6-20-31)23-15-17-24(18-16-23)30(3,4)26-12-10-14-28(26)32-21-7-8-22-32/h15-18,25-28H,5-14,19-22H2,1-4H3.
What are the key properties of 1-[2-[2-[4-[2-(2-pyrrolidin-1-ylcyclopentyl)propan-2-yl]phenyl]propan-2-yl]cyclopentyl]pyrrolidine?
1-[2-[2-[4-[2-(2-pyrrolidin-1-ylcyclopentyl)propan-2-yl]phenyl]propan-2-yl]cyclopentyl]pyrrolidine has a molecular weight of 436.73 g/mol, XLogP of 6.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[4-[2-(2-pyrrolidin-1-ylcyclopentyl)propan-2-yl]phenyl]propan-2-yl]cyclopentyl]pyrrolidine is sourced from PubChem (CID 173460583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).