ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate

C15H33N3O2 — CID 102996567

IUPACethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate
SMILESCCNC(C)(CN(CC)CCCN(C)C)C(=O)OCC
InChIInChI=1S/C15H33N3O2/c1-7-16-15(4,14(19)20-9-3)13-18(8-2)12-10-11-17(5)6/h16H,7-13H2,1-6H3
InChIKeyVETJJWWDRMHBSA-UHFFFAOYSA-N
MW287.45 g/mol
LogP1.19
Rot. Bonds11

About ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate

ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate (PubChem CID 102996567) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate
PubChem CID102996567
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC Nameethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate
SMILESCCNC(C)(CN(CC)CCCN(C)C)C(=O)OCC
InChIInChI=1S/C15H33N3O2/c1-7-16-15(4,14(19)20-9-3)13-18(8-2)12-10-11-17(5)6/h16H,7-13H2,1-6H3
InChIKeyVETJJWWDRMHBSA-UHFFFAOYSA-N
XLogP1.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 102996597
ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 107401030
methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate
CID 55226782
methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate
CID 102996569
ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 65487856
ethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate
CID 81043545
ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
CID 64704564
ethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate
CID 79842103
ethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate
CID 63700322
ethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate
CID 60993509
4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid
CID 102996545
N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide
CID 63693670

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate?
The IUPAC name of ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate (CID 102996567) is ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate?
The canonical SMILES for ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate is CCNC(C)(CN(CC)CCCN(C)C)C(=O)OCC.
What is the InChIKey of ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate?
The InChIKey is VETJJWWDRMHBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2/c1-7-16-15(4,14(19)20-9-3)13-18(8-2)12-10-11-17(5)6/h16H,7-13H2,1-6H3.
What are the key properties of ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate?
ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate has a molecular weight of 287.45 g/mol, XLogP of 1.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate is sourced from PubChem (CID 102996567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).