3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine

C12H22ClN — CID 131115710

IUPAC3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine
SMILESCC1(C)C(Cl)CCN1C1CCCCC1
InChIInChI=1S/C12H22ClN/c1-12(2)11(13)8-9-14(12)10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3
InChIKeyXKYGMECCGVYMST-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.41
Rot. Bonds1

About 3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine

3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine (PubChem CID 131115710) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is 3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine
PubChem CID131115710
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC Name3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine
SMILESCC1(C)C(Cl)CCN1C1CCCCC1
InChIInChI=1S/C12H22ClN/c1-12(2)11(13)8-9-14(12)10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3
InChIKeyXKYGMECCGVYMST-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol
CID 117016811
1-cyclopentyl-N,2,2-trimethylpiperidin-3-amine
CID 117019268
2-(1-cyclopentyl-2,2-dimethylpyrrolidin-3-yl)ethanol
CID 117017392
1-(1-cyclopentyl-2,2-dimethylpyrrolidin-3-yl)piperazine
CID 117017868
1-cyclopentyl-2,2-dimethylpiperidine-3-carbonitrile
CID 117019343
1-cyclohexyl-2,2,3-trimethylaziridine
CID 14812964
1-cycloheptyl-2,2-dimethylpiperazine
CID 65460692
1-cyclohexyl-2,2-dimethyl-1,4-diazepane
CID 82241587
2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)ethanol
CID 117017387
1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile
CID 117019338
1-cyclohexyl-3,3-dimethyldiaziridine
CID 71679608
1-cycloheptyl-N,5,5-trimethylpyrrolidin-3-amine
CID 117018202

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine?
The IUPAC name of 3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine (CID 131115710) is 3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine.
What is the SMILES notation for 3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine?
The canonical SMILES for 3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine is CC1(C)C(Cl)CCN1C1CCCCC1.
What is the InChIKey of 3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine?
The InChIKey is XKYGMECCGVYMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN/c1-12(2)11(13)8-9-14(12)10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine?
3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine has a molecular weight of 215.77 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine is sourced from PubChem (CID 131115710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).