methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate

C14H27NO2 — CID 65236117

IUPACmethyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate
SMILESCCCNC1(CC(=O)OC)CCCC(C)C1C
InChIInChI=1S/C14H27NO2/c1-5-9-15-14(10-13(16)17-4)8-6-7-11(2)12(14)3/h11-12,15H,5-10H2,1-4H3
InChIKeyWJZAESHXEAGOGV-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.74
Rot. Bonds5

About methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate

methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate (PubChem CID 65236117) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate
PubChem CID65236117
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate
SMILESCCCNC1(CC(=O)OC)CCCC(C)C1C
InChIInChI=1S/C14H27NO2/c1-5-9-15-14(10-13(16)17-4)8-6-7-11(2)12(14)3/h11-12,15H,5-10H2,1-4H3
InChIKeyWJZAESHXEAGOGV-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(ethylamino)-2,3-dimethylcyclohexyl]acetate
CID 65235186
ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65236956
methyl 2-[2-phenyl-1-(propylamino)cyclohexyl]acetate
CID 105403784
methyl 2-[1-(aminomethyl)-2,3-dimethylcyclohexyl]acetate
CID 66098305
2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid
CID 65236824
ethyl 2-[2-tert-butyl-1-(propylamino)cyclohexyl]acetate
CID 65235828
methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate
CID 107450553
2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid
CID 65233577
1-(aminomethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 65045216
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-methylcyclohexyl]acetate
CID 101326115
1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine
CID 80605656
methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate
CID 106824514

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate?
The IUPAC name of methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate (CID 65236117) is methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate?
The canonical SMILES for methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate is CCCNC1(CC(=O)OC)CCCC(C)C1C.
What is the InChIKey of methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate?
The InChIKey is WJZAESHXEAGOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-9-15-14(10-13(16)17-4)8-6-7-11(2)12(14)3/h11-12,15H,5-10H2,1-4H3.
What are the key properties of methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate?
methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate has a molecular weight of 241.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate is sourced from PubChem (CID 65236117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).