3-(2-cyclohexylethyl)pyrrolidine

C12H23N — CID 53409214

IUPAC3-(2-cyclohexylethyl)pyrrolidine
SMILESC1CCC(CCC2CCNC2)CC1
InChIInChI=1S/C12H23N/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-12/h11-13H,1-10H2
InChIKeyDPAQXQNDWXXIJB-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.96
Rot. Bonds3

About 3-(2-cyclohexylethyl)pyrrolidine

3-(2-cyclohexylethyl)pyrrolidine (PubChem CID 53409214) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)pyrrolidine
PubChem CID53409214
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-(2-cyclohexylethyl)pyrrolidine
SMILESC1CCC(CCC2CCNC2)CC1
InChIInChI=1S/C12H23N/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-12/h11-13H,1-10H2
InChIKeyDPAQXQNDWXXIJB-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
(3S)-3-(cyclohexylmethyl)pyrrolidine
CID 86324106
2-cyclobutyl-N-methyl-N-(2-pyrrolidin-3-ylethyl)ethanamine
CID 115210939
3-(2-iodoethyl)pyrrolidine
CID 71648953
3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride
CID 126844630
3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
CID 126845728
3-[2-(oxolan-2-yl)ethyl]pyrrolidine
CID 104680566
(3R)-3-(2-cyclohexylethoxy)pyrrolidine
CID 26191806
3-(4,4-dimethylpentyl)pyrrolidine
CID 59630397
1-(3-pyrrolidin-3-ylpropyl)piperidine
CID 54342662
1-(2-pyrrolidin-3-ylethyl)cyclohexan-1-amine
CID 115074244
N-(2-piperidin-3-ylethyl)cycloheptanamine
CID 62675109

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)pyrrolidine?
The IUPAC name of 3-(2-cyclohexylethyl)pyrrolidine (CID 53409214) is 3-(2-cyclohexylethyl)pyrrolidine.
What is the SMILES notation for 3-(2-cyclohexylethyl)pyrrolidine?
The canonical SMILES for 3-(2-cyclohexylethyl)pyrrolidine is C1CCC(CCC2CCNC2)CC1.
What is the InChIKey of 3-(2-cyclohexylethyl)pyrrolidine?
The InChIKey is DPAQXQNDWXXIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-12/h11-13H,1-10H2.
What are the key properties of 3-(2-cyclohexylethyl)pyrrolidine?
3-(2-cyclohexylethyl)pyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)pyrrolidine is sourced from PubChem (CID 53409214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).