1-(4-ethyl-4-methylcyclohexen-1-yl)pyrrolidine

C13H23N — CID 142265836

IUPAC1-(4-ethyl-4-methylcyclohexen-1-yl)pyrrolidine
SMILESCCC1(C)CC=C(N2CCCC2)CC1
InChIInChI=1S/C13H23N/c1-3-13(2)8-6-12(7-9-13)14-10-4-5-11-14/h6H,3-5,7-11H2,1-2H3
InChIKeyMLPPRTHQFAUDRW-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.57
Rot. Bonds2

About 1-(4-ethyl-4-methylcyclohexen-1-yl)pyrrolidine

1-(4-ethyl-4-methylcyclohexen-1-yl)pyrrolidine (PubChem CID 142265836) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-(4-ethyl-4-methylcyclohexen-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(4-ethyl-4-methylcyclohexen-1-yl)pyrrolidine
PubChem CID142265836
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-(4-ethyl-4-methylcyclohexen-1-yl)pyrrolidine
SMILESCCC1(C)CC=C(N2CCCC2)CC1
InChIInChI=1S/C13H23N/c1-3-13(2)8-6-12(7-9-13)14-10-4-5-11-14/h6H,3-5,7-11H2,1-2H3
InChIKeyMLPPRTHQFAUDRW-UHFFFAOYSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-(4-ethyl-4-methylcyclohexen-1-yl)pyrrolidine?
The IUPAC name of 1-(4-ethyl-4-methylcyclohexen-1-yl)pyrrolidine (CID 142265836) is 1-(4-ethyl-4-methylcyclohexen-1-yl)pyrrolidine.
What is the SMILES notation for 1-(4-ethyl-4-methylcyclohexen-1-yl)pyrrolidine?
The canonical SMILES for 1-(4-ethyl-4-methylcyclohexen-1-yl)pyrrolidine is CCC1(C)CC=C(N2CCCC2)CC1.
What is the InChIKey of 1-(4-ethyl-4-methylcyclohexen-1-yl)pyrrolidine?
The InChIKey is MLPPRTHQFAUDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-3-13(2)8-6-12(7-9-13)14-10-4-5-11-14/h6H,3-5,7-11H2,1-2H3.
What are the key properties of 1-(4-ethyl-4-methylcyclohexen-1-yl)pyrrolidine?
1-(4-ethyl-4-methylcyclohexen-1-yl)pyrrolidine has a molecular weight of 193.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-4-methylcyclohexen-1-yl)pyrrolidine is sourced from PubChem (CID 142265836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).