ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate

C15H32N2O3 — CID 64704564

IUPACethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
SMILESCCNC(C)(CC(C)N(C)CCCOC)C(=O)OCC
InChIInChI=1S/C15H32N2O3/c1-7-16-15(4,14(18)20-8-2)12-13(3)17(5)10-9-11-19-6/h13,16H,7-12H2,1-6H3
InChIKeyRWWIIWUIDAFEBI-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.66
Rot. Bonds11

About ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate

ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate (PubChem CID 64704564) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
PubChem CID64704564
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Nameethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
SMILESCCNC(C)(CC(C)N(C)CCCOC)C(=O)OCC
InChIInChI=1S/C15H32N2O3/c1-7-16-15(4,14(18)20-8-2)12-13(3)17(5)10-9-11-19-6/h13,16H,7-12H2,1-6H3
InChIKeyRWWIIWUIDAFEBI-UHFFFAOYSA-N
XLogP1.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
CID 64703757
ethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 81044614
ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate
CID 64710888
ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate
CID 64726233
ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate
CID 64719572
ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710729
methyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64711767
4-[2-methoxyethyl(methyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64710690
ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate
CID 64710194
methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate
CID 64725725
ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate
CID 82940420
ethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate
CID 81043545

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate?
The IUPAC name of ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate (CID 64704564) is ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate?
The canonical SMILES for ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate is CCNC(C)(CC(C)N(C)CCCOC)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate?
The InChIKey is RWWIIWUIDAFEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-7-16-15(4,14(18)20-8-2)12-13(3)17(5)10-9-11-19-6/h13,16H,7-12H2,1-6H3.
What are the key properties of ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate?
ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate has a molecular weight of 288.43 g/mol, XLogP of 1.66, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate is sourced from PubChem (CID 64704564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).