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

C17H33NO — CID 90963873

IUPAC2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol
SMILESOC1CCCCCCCCCCC1CN1CCCC1
InChIInChI=1S/C17H33NO/c19-17-12-8-6-4-2-1-3-5-7-11-16(17)15-18-13-9-10-14-18/h16-17,19H,1-15H2
InChIKeyCHYZGYGLEXOSMS-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.97
Rot. Bonds2

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

2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol (PubChem CID 90963873) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol
PubChem CID90963873
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol
SMILESOC1CCCCCCCCCCC1CN1CCCC1
InChIInChI=1S/C17H33NO/c19-17-12-8-6-4-2-1-3-5-7-11-16(17)15-18-13-9-10-14-18/h16-17,19H,1-15H2
InChIKeyCHYZGYGLEXOSMS-UHFFFAOYSA-N
XLogP3.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol (CID 90963873) is 2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol is OC1CCCCCCCCCCC1CN1CCCC1.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol?
The InChIKey is CHYZGYGLEXOSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c19-17-12-8-6-4-2-1-3-5-7-11-16(17)15-18-13-9-10-14-18/h16-17,19H,1-15H2.
What are the key properties of 2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol?
2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol is sourced from PubChem (CID 90963873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).