2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine

C16H29NO — CID 167914484

IUPAC2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine
SMILESCC1(CCN2CCCC2C2CCCCC2)COC1
InChIInChI=1S/C16H29NO/c1-16(12-18-13-16)9-11-17-10-5-8-15(17)14-6-3-2-4-7-14/h14-15H,2-13H2,1H3
InChIKeyRKAIFVGISUQXFZ-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.46
Rot. Bonds4

About 2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine

2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine (PubChem CID 167914484) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine
PubChem CID167914484
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine
SMILESCC1(CCN2CCCC2C2CCCCC2)COC1
InChIInChI=1S/C16H29NO/c1-16(12-18-13-16)9-11-17-10-5-8-15(17)14-6-3-2-4-7-14/h14-15H,2-13H2,1H3
InChIKeyRKAIFVGISUQXFZ-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine
CID 79842524
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclohexan-1-amine
CID 65319820
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methyloxolan-3-amine
CID 66263076
benzene;2-[(2R)-2-cyclohexylpyrrolidin-1-yl]ethanol
CID 143494141
[1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutyl]methanamine
CID 81170586
3-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94393094
2-cyclobutyl-1-[(3-methyloxetan-3-yl)methylsulfonyl]pyrrolidine
CID 155937571
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102725969
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-amine
CID 65320299
3-[(2S)-2-cyclohexylpyrrolidin-1-yl]propanoic acid
CID 42576565
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623035
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylethanamine
CID 65320984

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine?
The IUPAC name of 2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine (CID 167914484) is 2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine.
What is the SMILES notation for 2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine?
The canonical SMILES for 2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine is CC1(CCN2CCCC2C2CCCCC2)COC1.
What is the InChIKey of 2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine?
The InChIKey is RKAIFVGISUQXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-16(12-18-13-16)9-11-17-10-5-8-15(17)14-6-3-2-4-7-14/h14-15H,2-13H2,1H3.
What are the key properties of 2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine?
2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine has a molecular weight of 251.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine is sourced from PubChem (CID 167914484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).