methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate

C16H31NO3 — CID 62381935

IUPACmethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
SMILESCNC(C)(CCCCOCC1CCCCC1)C(=O)OC
InChIInChI=1S/C16H31NO3/c1-16(17-2,15(18)19-3)11-7-8-12-20-13-14-9-5-4-6-10-14/h14,17H,4-13H2,1-3H3
InChIKeyFPBHLIINBXDVIG-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.90
Rot. Bonds9

About methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate

methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate (PubChem CID 62381935) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
PubChem CID62381935
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Namemethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
SMILESCNC(C)(CCCCOCC1CCCCC1)C(=O)OC
InChIInChI=1S/C16H31NO3/c1-16(17-2,15(18)19-3)11-7-8-12-20-13-14-9-5-4-6-10-14/h14,17H,4-13H2,1-3H3
InChIKeyFPBHLIINBXDVIG-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62384314
ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 66323112
ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate
CID 106204484
3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid
CID 66324387
methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate
CID 62385441
4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide
CID 66324174
5-(cyclohexylmethoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 62383781
ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate
CID 104565496
6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 66322521
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate
CID 64583750
6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol
CID 64811173
ethyl 6-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)hexanoate
CID 63119967

Frequently Asked Questions

What is the IUPAC name of methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate?
The IUPAC name of methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate (CID 62381935) is methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate.
What is the SMILES notation for methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate?
The canonical SMILES for methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate is CNC(C)(CCCCOCC1CCCCC1)C(=O)OC.
What is the InChIKey of methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate?
The InChIKey is FPBHLIINBXDVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-16(17-2,15(18)19-3)11-7-8-12-20-13-14-9-5-4-6-10-14/h14,17H,4-13H2,1-3H3.
What are the key properties of methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate?
methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate has a molecular weight of 285.43 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate is sourced from PubChem (CID 62381935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).