methyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate

C14H29NO3 — CID 103284956

IUPACmethyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate
SMILESCCCC(C)COCCC(C)(NCC)C(=O)OC
InChIInChI=1S/C14H29NO3/c1-6-8-12(3)11-18-10-9-14(4,15-7-2)13(16)17-5/h12,15H,6-11H2,1-5H3
InChIKeyUCFVXEYVEIZCJQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.37
Rot. Bonds10

About methyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate

methyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate (PubChem CID 103284956) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate
PubChem CID103284956
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Namemethyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate
SMILESCCCC(C)COCCC(C)(NCC)C(=O)OC
InChIInChI=1S/C14H29NO3/c1-6-8-12(3)11-18-10-9-14(4,15-7-2)13(16)17-5/h12,15H,6-11H2,1-5H3
InChIKeyUCFVXEYVEIZCJQ-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.37
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

2-(ethylamino)-2-methyl-5-(2-methylpentoxy)pentanamide
CID 103284877
2-(ethylamino)-2-methyl-3-(2-methylpentoxy)propanamide
CID 103284979
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666755
ethyl 2-methyl-4-(2-methylpentoxy)-2-(propan-2-ylamino)butanoate
CID 103284924
methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate
CID 103489912
2-methyl-2-(methylamino)-5-(2-methylpentoxy)pentanamide
CID 103284845
2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile
CID 103284800
2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol
CID 103286028
2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid
CID 106714417
methyl 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoate
CID 103179847
methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
CID 66275923

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate (CID 103284956) is methyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate is CCCC(C)COCCC(C)(NCC)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate?
The InChIKey is UCFVXEYVEIZCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-6-8-12(3)11-18-10-9-14(4,15-7-2)13(16)17-5/h12,15H,6-11H2,1-5H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate?
methyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate has a molecular weight of 259.39 g/mol, XLogP of 2.37, 10 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-4-(2-methylpentoxy)butanoate is sourced from PubChem (CID 103284956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).