2,5-dimethyl-1-(6-methylcyclohexen-1-yl)pyrrolidine

C13H23N — CID 134992679

IUPAC2,5-dimethyl-1-(6-methylcyclohexen-1-yl)pyrrolidine
SMILESCC1CCCC=C1N1C(C)CCC1C
InChIInChI=1S/C13H23N/c1-10-6-4-5-7-13(10)14-11(2)8-9-12(14)3/h7,10-12H,4-6,8-9H2,1-3H3
InChIKeyWFTLTJISMMHNAM-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.56
Rot. Bonds1

About 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)pyrrolidine

2,5-dimethyl-1-(6-methylcyclohexen-1-yl)pyrrolidine (PubChem CID 134992679) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)pyrrolidine.

Molecular Properties

Compound Name2,5-dimethyl-1-(6-methylcyclohexen-1-yl)pyrrolidine
PubChem CID134992679
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2,5-dimethyl-1-(6-methylcyclohexen-1-yl)pyrrolidine
SMILESCC1CCCC=C1N1C(C)CCC1C
InChIInChI=1S/C13H23N/c1-10-6-4-5-7-13(10)14-11(2)8-9-12(14)3/h7,10-12H,4-6,8-9H2,1-3H3
InChIKeyWFTLTJISMMHNAM-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)pyrrolidine?
The IUPAC name of 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)pyrrolidine (CID 134992679) is 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)pyrrolidine.
What is the SMILES notation for 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)pyrrolidine?
The canonical SMILES for 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)pyrrolidine is CC1CCCC=C1N1C(C)CCC1C.
What is the InChIKey of 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)pyrrolidine?
The InChIKey is WFTLTJISMMHNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-10-6-4-5-7-13(10)14-11(2)8-9-12(14)3/h7,10-12H,4-6,8-9H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)pyrrolidine?
2,5-dimethyl-1-(6-methylcyclohexen-1-yl)pyrrolidine has a molecular weight of 193.33 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)pyrrolidine is sourced from PubChem (CID 134992679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).