2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol

C18H36N2O — CID 63165145

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol
SMILESCN(C)C1CCN(C2CCCCCCCCCCC2O)C1
InChIInChI=1S/C18H36N2O/c1-19(2)16-13-14-20(15-16)17-11-9-7-5-3-4-6-8-10-12-18(17)21/h16-18,21H,3-15H2,1-2H3
InChIKeyZSGWWMIWNLMSGS-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.27
Rot. Bonds2

About 2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol

2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol (PubChem CID 63165145) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol
PubChem CID63165145
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol
SMILESCN(C)C1CCN(C2CCCCCCCCCCC2O)C1
InChIInChI=1S/C18H36N2O/c1-19(2)16-13-14-20(15-16)17-11-9-7-5-3-4-6-8-10-12-18(17)21/h16-18,21H,3-15H2,1-2H3
InChIKeyZSGWWMIWNLMSGS-UHFFFAOYSA-N
XLogP3.27
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol (CID 63165145) is 2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol is CN(C)C1CCN(C2CCCCCCCCCCC2O)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol?
The InChIKey is ZSGWWMIWNLMSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-19(2)16-13-14-20(15-16)17-11-9-7-5-3-4-6-8-10-12-18(17)21/h16-18,21H,3-15H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol?
2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol has a molecular weight of 296.50 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]cyclododecan-1-ol is sourced from PubChem (CID 63165145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).