2-(2,2-dicyclohexylethyl)pyrrolidine

C18H33N — CID 3047556

IUPAC2-(2,2-dicyclohexylethyl)pyrrolidine
SMILESC1CCC(C(CC2CCCN2)C2CCCCC2)CC1
InChIInChI=1S/C18H33N/c1-3-8-15(9-4-1)18(14-17-12-7-13-19-17)16-10-5-2-6-11-16/h15-19H,1-14H2
InChIKeyFFDGMRFAJRYVTO-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.91
Rot. Bonds4

About 2-(2,2-dicyclohexylethyl)pyrrolidine

2-(2,2-dicyclohexylethyl)pyrrolidine (PubChem CID 3047556) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 2-(2,2-dicyclohexylethyl)pyrrolidine.

Molecular Properties

Compound Name2-(2,2-dicyclohexylethyl)pyrrolidine
PubChem CID3047556
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name2-(2,2-dicyclohexylethyl)pyrrolidine
SMILESC1CCC(C(CC2CCCN2)C2CCCCC2)CC1
InChIInChI=1S/C18H33N/c1-3-8-15(9-4-1)18(14-17-12-7-13-19-17)16-10-5-2-6-11-16/h15-19H,1-14H2
InChIKeyFFDGMRFAJRYVTO-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dicyclohexylethyl)pyrrolidine?
The IUPAC name of 2-(2,2-dicyclohexylethyl)pyrrolidine (CID 3047556) is 2-(2,2-dicyclohexylethyl)pyrrolidine.
What is the SMILES notation for 2-(2,2-dicyclohexylethyl)pyrrolidine?
The canonical SMILES for 2-(2,2-dicyclohexylethyl)pyrrolidine is C1CCC(C(CC2CCCN2)C2CCCCC2)CC1.
What is the InChIKey of 2-(2,2-dicyclohexylethyl)pyrrolidine?
The InChIKey is FFDGMRFAJRYVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-3-8-15(9-4-1)18(14-17-12-7-13-19-17)16-10-5-2-6-11-16/h15-19H,1-14H2.
What are the key properties of 2-(2,2-dicyclohexylethyl)pyrrolidine?
2-(2,2-dicyclohexylethyl)pyrrolidine has a molecular weight of 263.47 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dicyclohexylethyl)pyrrolidine is sourced from PubChem (CID 3047556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).