1-(3-ethyl-1,3,5,5-tetramethylcyclohexyl)pyrrolidine

C16H31N — CID 10331738

IUPAC1-(3-ethyl-1,3,5,5-tetramethylcyclohexyl)pyrrolidine
SMILESCCC1(C)CC(C)(C)CC(C)(N2CCCC2)C1
InChIInChI=1S/C16H31N/c1-6-15(4)11-14(2,3)12-16(5,13-15)17-9-7-8-10-17/h6-13H2,1-5H3
InChIKeyVZMMNFHWJMVOSI-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.47
Rot. Bonds2

About 1-(3-ethyl-1,3,5,5-tetramethylcyclohexyl)pyrrolidine

1-(3-ethyl-1,3,5,5-tetramethylcyclohexyl)pyrrolidine (PubChem CID 10331738) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-(3-ethyl-1,3,5,5-tetramethylcyclohexyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-ethyl-1,3,5,5-tetramethylcyclohexyl)pyrrolidine
PubChem CID10331738
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-(3-ethyl-1,3,5,5-tetramethylcyclohexyl)pyrrolidine
SMILESCCC1(C)CC(C)(C)CC(C)(N2CCCC2)C1
InChIInChI=1S/C16H31N/c1-6-15(4)11-14(2,3)12-16(5,13-15)17-9-7-8-10-17/h6-13H2,1-5H3
InChIKeyVZMMNFHWJMVOSI-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,3,5,5-tetramethylcyclohexyl)pyrrolidine?
The IUPAC name of 1-(3-ethyl-1,3,5,5-tetramethylcyclohexyl)pyrrolidine (CID 10331738) is 1-(3-ethyl-1,3,5,5-tetramethylcyclohexyl)pyrrolidine.
What is the SMILES notation for 1-(3-ethyl-1,3,5,5-tetramethylcyclohexyl)pyrrolidine?
The canonical SMILES for 1-(3-ethyl-1,3,5,5-tetramethylcyclohexyl)pyrrolidine is CCC1(C)CC(C)(C)CC(C)(N2CCCC2)C1.
What is the InChIKey of 1-(3-ethyl-1,3,5,5-tetramethylcyclohexyl)pyrrolidine?
The InChIKey is VZMMNFHWJMVOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-6-15(4)11-14(2,3)12-16(5,13-15)17-9-7-8-10-17/h6-13H2,1-5H3.
What are the key properties of 1-(3-ethyl-1,3,5,5-tetramethylcyclohexyl)pyrrolidine?
1-(3-ethyl-1,3,5,5-tetramethylcyclohexyl)pyrrolidine has a molecular weight of 237.43 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,3,5,5-tetramethylcyclohexyl)pyrrolidine is sourced from PubChem (CID 10331738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).