1-cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol

C22H41NO — CID 10193446

IUPAC1-cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol
SMILESOC1(C2CCCC2)CCCCCCCCCCC1CN1CCCC1
InChIInChI=1S/C22H41NO/c24-22(20-13-8-9-14-20)16-10-6-4-2-1-3-5-7-15-21(22)19-23-17-11-12-18-23/h20-21,24H,1-19H2
InChIKeyZUFKHIDNAHFXLZ-UHFFFAOYSA-N
MW335.58 g/mol
LogP5.53
Rot. Bonds3

About 1-cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol

1-cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol (PubChem CID 10193446) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is 1-cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol.

Molecular Properties

Compound Name1-cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol
PubChem CID10193446
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Name1-cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol
SMILESOC1(C2CCCC2)CCCCCCCCCCC1CN1CCCC1
InChIInChI=1S/C22H41NO/c24-22(20-13-8-9-14-20)16-10-6-4-2-1-3-5-7-15-21(22)19-23-17-11-12-18-23/h20-21,24H,1-19H2
InChIKeyZUFKHIDNAHFXLZ-UHFFFAOYSA-N
XLogP5.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol?
The IUPAC name of 1-cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol (CID 10193446) is 1-cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol.
What is the SMILES notation for 1-cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol?
The canonical SMILES for 1-cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol is OC1(C2CCCC2)CCCCCCCCCCC1CN1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol?
The InChIKey is ZUFKHIDNAHFXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO/c24-22(20-13-8-9-14-20)16-10-6-4-2-1-3-5-7-15-21(22)19-23-17-11-12-18-23/h20-21,24H,1-19H2.
What are the key properties of 1-cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol?
1-cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol has a molecular weight of 335.58 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol is sourced from PubChem (CID 10193446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).