2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine

C13H25N — CID 131186368

IUPAC2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine
SMILESCC1(C2CCNC2(C)C)CCCCC1
InChIInChI=1S/C13H25N/c1-12(2)11(7-10-14-12)13(3)8-5-4-6-9-13/h11,14H,4-10H2,1-3H3
InChIKeyKIJVGPWAYNJLNV-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.34
Rot. Bonds1

About 2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine

2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine (PubChem CID 131186368) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine.

Molecular Properties

Compound Name2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine
PubChem CID131186368
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine
SMILESCC1(C2CCNC2(C)C)CCCCC1
InChIInChI=1S/C13H25N/c1-12(2)11(7-10-14-12)13(3)8-5-4-6-9-13/h11,14H,4-10H2,1-3H3
InChIKeyKIJVGPWAYNJLNV-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,2-dimethylpyrrolidin-3-ol
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3-cyclohexyl-3-methylpiperidine;hydrochloride
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(4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline
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1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
2,2-dimethyl-3-pyrrolidin-1-ylpyrrolidine
CID 71669027
(3R)-4-methyl-1-azaspiro[2.6]nonane
CID 121388588
2,2-dimethylazocane
CID 123664425
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine?
The IUPAC name of 2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine (CID 131186368) is 2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine.
What is the SMILES notation for 2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine?
The canonical SMILES for 2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine is CC1(C2CCNC2(C)C)CCCCC1.
What is the InChIKey of 2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine?
The InChIKey is KIJVGPWAYNJLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-12(2)11(7-10-14-12)13(3)8-5-4-6-9-13/h11,14H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine?
2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine has a molecular weight of 195.35 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine is sourced from PubChem (CID 131186368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).