3-[(1S)-1-[(2R)-5-ethyl-2-methylcyclohexyl]ethyl]-1-methylazetidine

C15H29N — CID 138738312

IUPAC3-[(1S)-1-[(2R)-5-ethyl-2-methylcyclohexyl]ethyl]-1-methylazetidine
SMILESCCC1CC[C@@H](C)C([C@H](C)C2CN(C)C2)C1
InChIInChI=1S/C15H29N/c1-5-13-7-6-11(2)15(8-13)12(3)14-9-16(4)10-14/h11-15H,5-10H2,1-4H3/t11-,12-,13?,15?/m1/s1
InChIKeyGOQCSDOAUVELDS-SIUPQYRZSA-N
MW223.40 g/mol
LogP3.65
Rot. Bonds3

About 3-[(1S)-1-[(2R)-5-ethyl-2-methylcyclohexyl]ethyl]-1-methylazetidine

3-[(1S)-1-[(2R)-5-ethyl-2-methylcyclohexyl]ethyl]-1-methylazetidine (PubChem CID 138738312) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 3-[(1S)-1-[(2R)-5-ethyl-2-methylcyclohexyl]ethyl]-1-methylazetidine.

Molecular Properties

Compound Name3-[(1S)-1-[(2R)-5-ethyl-2-methylcyclohexyl]ethyl]-1-methylazetidine
PubChem CID138738312
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name3-[(1S)-1-[(2R)-5-ethyl-2-methylcyclohexyl]ethyl]-1-methylazetidine
SMILESCCC1CC[C@@H](C)C([C@H](C)C2CN(C)C2)C1
InChIInChI=1S/C15H29N/c1-5-13-7-6-11(2)15(8-13)12(3)14-9-16(4)10-14/h11-15H,5-10H2,1-4H3/t11-,12-,13?,15?/m1/s1
InChIKeyGOQCSDOAUVELDS-SIUPQYRZSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Cyclohexyl-3-fluoro-1-methylazetidine
CID 66596076
3-(4-Fluorocyclohexyl)-1-methylazetidine
CID 144423865
7-Tert-butyl-3-fluoro-2-methyl-2-azaspiro[3.5]nonane
CID 167206866
3-(3,4-Dimethylcyclohexyl)-3-fluoroazetidine
CID 112563346
n,n-Dimethyl-1-(1,2,3,5-tetramethylcyclohexyl)methanamine
CID 233410
Dimethyl((2,4,5-trimethylcyclohexyl)methyl)amine
CID 547131
N,N-dimethyl-2-(4-methylcyclohexyl)ethanamine
CID 21670692
N,N-dimethyl-2-(3,3,4-trimethylcyclohexyl)ethanamine
CID 23384278
5-cyclohexyl-N,N,3-trimethylhexan-1-amine
CID 23577153
N,N-diethyl-2-(3-propan-2-ylcyclohexyl)ethanamine
CID 53727965
1-[(4-Methylcyclohexyl)methyl]azetidine
CID 57640098
N,N-dimethyl-1-(2-methylcyclohexyl)methanamine
CID 57785764

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[(2R)-5-ethyl-2-methylcyclohexyl]ethyl]-1-methylazetidine?
The IUPAC name of 3-[(1S)-1-[(2R)-5-ethyl-2-methylcyclohexyl]ethyl]-1-methylazetidine (CID 138738312) is 3-[(1S)-1-[(2R)-5-ethyl-2-methylcyclohexyl]ethyl]-1-methylazetidine.
What is the SMILES notation for 3-[(1S)-1-[(2R)-5-ethyl-2-methylcyclohexyl]ethyl]-1-methylazetidine?
The canonical SMILES for 3-[(1S)-1-[(2R)-5-ethyl-2-methylcyclohexyl]ethyl]-1-methylazetidine is CCC1CC[C@@H](C)C([C@H](C)C2CN(C)C2)C1.
What is the InChIKey of 3-[(1S)-1-[(2R)-5-ethyl-2-methylcyclohexyl]ethyl]-1-methylazetidine?
The InChIKey is GOQCSDOAUVELDS-SIUPQYRZSA-N. The full InChI is InChI=1S/C15H29N/c1-5-13-7-6-11(2)15(8-13)12(3)14-9-16(4)10-14/h11-15H,5-10H2,1-4H3/t11-,12-,13?,15?/m1/s1.
What are the key properties of 3-[(1S)-1-[(2R)-5-ethyl-2-methylcyclohexyl]ethyl]-1-methylazetidine?
3-[(1S)-1-[(2R)-5-ethyl-2-methylcyclohexyl]ethyl]-1-methylazetidine has a molecular weight of 223.40 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[(2R)-5-ethyl-2-methylcyclohexyl]ethyl]-1-methylazetidine is sourced from PubChem (CID 138738312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).