2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol

C19H37NO — CID 83220364

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol
SMILESCCC1CCC(C)N1C1CCCCCCCCCCC1O
InChIInChI=1S/C19H37NO/c1-3-17-15-14-16(2)20(17)18-12-10-8-6-4-5-7-9-11-13-19(18)21/h16-19,21H,3-15H2,1-2H3
InChIKeyNJNHIKPAQJRMMW-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.89
Rot. Bonds2

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol

2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol (PubChem CID 83220364) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol
PubChem CID83220364
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol
SMILESCCC1CCC(C)N1C1CCCCCCCCCCC1O
InChIInChI=1S/C19H37NO/c1-3-17-15-14-16(2)20(17)18-12-10-8-6-4-5-7-9-11-13-19(18)21/h16-19,21H,3-15H2,1-2H3
InChIKeyNJNHIKPAQJRMMW-UHFFFAOYSA-N
XLogP4.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol (CID 83220364) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol is CCC1CCC(C)N1C1CCCCCCCCCCC1O.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol?
The InChIKey is NJNHIKPAQJRMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-17-15-14-16(2)20(17)18-12-10-8-6-4-5-7-9-11-13-19(18)21/h16-19,21H,3-15H2,1-2H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol?
2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol has a molecular weight of 295.51 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol is sourced from PubChem (CID 83220364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).