1-(2,6,6-trimethylcyclohexen-1-yl)pyrrolidine

C13H23N — CID 134863459

IUPAC1-(2,6,6-trimethylcyclohexen-1-yl)pyrrolidine
SMILESCC1=C(N2CCCC2)C(C)(C)CCC1
InChIInChI=1S/C13H23N/c1-11-7-6-8-13(2,3)12(11)14-9-4-5-10-14/h4-10H2,1-3H3
InChIKeyGOTBHVZXKQRXGI-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.57
Rot. Bonds1

About 1-(2,6,6-trimethylcyclohexen-1-yl)pyrrolidine

1-(2,6,6-trimethylcyclohexen-1-yl)pyrrolidine (PubChem CID 134863459) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-(2,6,6-trimethylcyclohexen-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2,6,6-trimethylcyclohexen-1-yl)pyrrolidine
PubChem CID134863459
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-(2,6,6-trimethylcyclohexen-1-yl)pyrrolidine
SMILESCC1=C(N2CCCC2)C(C)(C)CCC1
InChIInChI=1S/C13H23N/c1-11-7-6-8-13(2,3)12(11)14-9-4-5-10-14/h4-10H2,1-3H3
InChIKeyGOTBHVZXKQRXGI-UHFFFAOYSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6,6-trimethylcyclohexen-1-yl)pyrrolidine?
The IUPAC name of 1-(2,6,6-trimethylcyclohexen-1-yl)pyrrolidine (CID 134863459) is 1-(2,6,6-trimethylcyclohexen-1-yl)pyrrolidine.
What is the SMILES notation for 1-(2,6,6-trimethylcyclohexen-1-yl)pyrrolidine?
The canonical SMILES for 1-(2,6,6-trimethylcyclohexen-1-yl)pyrrolidine is CC1=C(N2CCCC2)C(C)(C)CCC1.
What is the InChIKey of 1-(2,6,6-trimethylcyclohexen-1-yl)pyrrolidine?
The InChIKey is GOTBHVZXKQRXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-11-7-6-8-13(2,3)12(11)14-9-4-5-10-14/h4-10H2,1-3H3.
What are the key properties of 1-(2,6,6-trimethylcyclohexen-1-yl)pyrrolidine?
1-(2,6,6-trimethylcyclohexen-1-yl)pyrrolidine has a molecular weight of 193.33 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6,6-trimethylcyclohexen-1-yl)pyrrolidine is sourced from PubChem (CID 134863459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).