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

C17H33NO3 — CID 62384314

IUPACethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
SMILESCCOC(=O)C(C)(CCCCOCC1CCCCC1)NC
InChIInChI=1S/C17H33NO3/c1-4-21-16(19)17(2,18-3)12-8-9-13-20-14-15-10-6-5-7-11-15/h15,18H,4-14H2,1-3H3
InChIKeyDOUGKMDZALVWKE-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.29
Rot. Bonds10

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

ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate (PubChem CID 62384314) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate.

Molecular Properties

Compound Nameethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
PubChem CID62384314
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Nameethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
SMILESCCOC(=O)C(C)(CCCCOCC1CCCCC1)NC
InChIInChI=1S/C17H33NO3/c1-4-21-16(19)17(2,18-3)12-8-9-13-20-14-15-10-6-5-7-11-15/h15,18H,4-14H2,1-3H3
InChIKeyDOUGKMDZALVWKE-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.29
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

methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62381935
ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 66323112
ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate
CID 106204484
ethyl 6-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)hexanoate
CID 63119967
ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate
CID 104565496
ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate
CID 62384132
ethyl 5-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204394
ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate
CID 103489864
ethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate
CID 114197284
ethyl 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(methylamino)butanoate
CID 103180000
ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
CID 63711443
4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide
CID 66324174

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate?
The IUPAC name of ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate (CID 62384314) is ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate.
What is the SMILES notation for ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate?
The canonical SMILES for ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate is CCOC(=O)C(C)(CCCCOCC1CCCCC1)NC.
What is the InChIKey of ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate?
The InChIKey is DOUGKMDZALVWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-4-21-16(19)17(2,18-3)12-8-9-13-20-14-15-10-6-5-7-11-15/h15,18H,4-14H2,1-3H3.
What are the key properties of ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate?
ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate has a molecular weight of 299.45 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate is sourced from PubChem (CID 62384314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).