methyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate

C15H29NO3 — CID 114197281

IUPACmethyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate
SMILESCCNC(C)(COCC1CCCC(C)C1)C(=O)OC
InChIInChI=1S/C15H29NO3/c1-5-16-15(3,14(17)18-4)11-19-10-13-8-6-7-12(2)9-13/h12-13,16H,5-11H2,1-4H3
InChIKeyAXYHZIBYXLABJW-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.37
Rot. Bonds7

About methyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate

methyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate (PubChem CID 114197281) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate
PubChem CID114197281
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Namemethyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate
SMILESCCNC(C)(COCC1CCCC(C)C1)C(=O)OC
InChIInChI=1S/C15H29NO3/c1-5-16-15(3,14(17)18-4)11-19-10-13-8-6-7-12(2)9-13/h12-13,16H,5-11H2,1-4H3
InChIKeyAXYHZIBYXLABJW-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(methylamino)-3-[(3-methylcyclohexyl)methoxy]propanamide
CID 114197296
3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanamide
CID 55066159
3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid
CID 66324387
methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate
CID 102671236
ethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate
CID 114197284
2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one
CID 116566074
methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate
CID 55247668
methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62381935
ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate
CID 62384132
(3S)-1-(methoxymethyl)-3-methylcyclohexane
CID 142198036
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
N-ethyl-1-methoxy-3-[(3-methylcyclohexyl)methoxy]propan-2-amine
CID 114197059

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate (CID 114197281) is methyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate is CCNC(C)(COCC1CCCC(C)C1)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate?
The InChIKey is AXYHZIBYXLABJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-5-16-15(3,14(17)18-4)11-19-10-13-8-6-7-12(2)9-13/h12-13,16H,5-11H2,1-4H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate?
methyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate has a molecular weight of 271.40 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate is sourced from PubChem (CID 114197281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).