1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine

C15H29N — CID 66759552

IUPAC1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine
SMILESCC[C@@H]1CC(C)(C)C[C@](C)(N2CCCC2)C1
InChIInChI=1S/C15H29N/c1-5-13-10-14(2,3)12-15(4,11-13)16-8-6-7-9-16/h13H,5-12H2,1-4H3/t13-,15-/m1/s1
InChIKeyDACGCAHHFCJQTD-UKRRQHHQSA-N
MW223.40 g/mol
LogP4.08
Rot. Bonds2

About 1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine

1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine (PubChem CID 66759552) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine
PubChem CID66759552
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine
SMILESCC[C@@H]1CC(C)(C)C[C@](C)(N2CCCC2)C1
InChIInChI=1S/C15H29N/c1-5-13-10-14(2,3)12-15(4,11-13)16-8-6-7-9-16/h13H,5-12H2,1-4H3/t13-,15-/m1/s1
InChIKeyDACGCAHHFCJQTD-UKRRQHHQSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine?
The IUPAC name of 1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine (CID 66759552) is 1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine.
What is the SMILES notation for 1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine?
The canonical SMILES for 1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine is CC[C@@H]1CC(C)(C)C[C@](C)(N2CCCC2)C1.
What is the InChIKey of 1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine?
The InChIKey is DACGCAHHFCJQTD-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H29N/c1-5-13-10-14(2,3)12-15(4,11-13)16-8-6-7-9-16/h13H,5-12H2,1-4H3/t13-,15-/m1/s1.
What are the key properties of 1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine?
1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine has a molecular weight of 223.40 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine is sourced from PubChem (CID 66759552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).