ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate

C15H31NO3 — CID 64719572

IUPACethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate
SMILESCCCCCOC(C)CC(C)(NCC)C(=O)OCC
InChIInChI=1S/C15H31NO3/c1-6-9-10-11-19-13(4)12-15(5,16-7-2)14(17)18-8-3/h13,16H,6-12H2,1-5H3
InChIKeyCUZLDQQMKFOEMM-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.90
Rot. Bonds11

About ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate

ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate (PubChem CID 64719572) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate
PubChem CID64719572
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Nameethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate
SMILESCCCCCOC(C)CC(C)(NCC)C(=O)OCC
InChIInChI=1S/C15H31NO3/c1-6-9-10-11-19-13(4)12-15(5,16-7-2)14(17)18-8-3/h13,16H,6-12H2,1-5H3
InChIKeyCUZLDQQMKFOEMM-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
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

4-butoxy-2-(ethylamino)-2-methylpentanoic acid
CID 64706482
methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate
CID 64706315
ethyl 2-amino-4-butoxy-2-methylpentanoate
CID 64708941
2-(ethylamino)-2-methyl-4-propoxypentanamide
CID 64708736
ethyl 2-methyl-2-(propylamino)-4-(3,3,3-trifluoropropoxy)pentanoate
CID 82962855
ethyl 2-methyl-2-(methylamino)-4-(4,4,4-trifluorobutoxy)pentanoate
CID 82792603
2-methyl-2-(methylamino)-4-octoxypentanoic acid
CID 64709002
2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol
CID 64807509
ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
CID 64706802
4-butoxy-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64706677
ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204438
ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
CID 64704564

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate?
The IUPAC name of ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate (CID 64719572) is ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate?
The canonical SMILES for ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate is CCCCCOC(C)CC(C)(NCC)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate?
The InChIKey is CUZLDQQMKFOEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-6-9-10-11-19-13(4)12-15(5,16-7-2)14(17)18-8-3/h13,16H,6-12H2,1-5H3.
What are the key properties of ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate?
ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate has a molecular weight of 273.42 g/mol, XLogP of 2.90, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate is sourced from PubChem (CID 64719572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).