1-cyclohexyl-3-methylpyrrolidine

C11H21N — CID 13402657

IUPAC1-cyclohexyl-3-methylpyrrolidine
SMILESCC1CCN(C2CCCCC2)C1
InChIInChI=1S/C11H21N/c1-10-7-8-12(9-10)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3
InChIKeyGTTHRJBOJQJBAT-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.66
Rot. Bonds1

About 1-cyclohexyl-3-methylpyrrolidine

1-cyclohexyl-3-methylpyrrolidine (PubChem CID 13402657) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-cyclohexyl-3-methylpyrrolidine.

Molecular Properties

Compound Name1-cyclohexyl-3-methylpyrrolidine
PubChem CID13402657
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-cyclohexyl-3-methylpyrrolidine
SMILESCC1CCN(C2CCCCC2)C1
InChIInChI=1S/C11H21N/c1-10-7-8-12(9-10)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3
InChIKeyGTTHRJBOJQJBAT-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methylpyrrolidine?
The IUPAC name of 1-cyclohexyl-3-methylpyrrolidine (CID 13402657) is 1-cyclohexyl-3-methylpyrrolidine.
What is the SMILES notation for 1-cyclohexyl-3-methylpyrrolidine?
The canonical SMILES for 1-cyclohexyl-3-methylpyrrolidine is CC1CCN(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-3-methylpyrrolidine?
The InChIKey is GTTHRJBOJQJBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-10-7-8-12(9-10)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3.
What are the key properties of 1-cyclohexyl-3-methylpyrrolidine?
1-cyclohexyl-3-methylpyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methylpyrrolidine is sourced from PubChem (CID 13402657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).