methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate

C15H33N3O2 — CID 102996569

IUPACmethyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate
SMILESCCN(CCCN(C)C)CCCC(C)(NC)C(=O)OC
InChIInChI=1S/C15H33N3O2/c1-7-18(13-9-11-17(4)5)12-8-10-15(2,16-3)14(19)20-6/h16H,7-13H2,1-6H3
InChIKeyMHPSGEZPAPXPFP-UHFFFAOYSA-N
MW287.45 g/mol
LogP1.19
Rot. Bonds11

About methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate

methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate (PubChem CID 102996569) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate
PubChem CID102996569
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC Namemethyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate
SMILESCCN(CCCN(C)C)CCCC(C)(NC)C(=O)OC
InChIInChI=1S/C15H33N3O2/c1-7-18(13-9-11-17(4)5)12-8-10-15(2,16-3)14(19)20-6/h16H,7-13H2,1-6H3
InChIKeyMHPSGEZPAPXPFP-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

methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 79481544
methyl 2-[2-(dimethylamino)ethylamino]-2-methylheptanoate
CID 80557685
ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate
CID 102996567
5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide
CID 102993810
methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate
CID 105416856
methyl 2-amino-5-[2-ethoxyethyl(ethyl)amino]-2-methylpentanoate
CID 63690173
methyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate
CID 79481545
3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 102996597
methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate
CID 81062894
1-[3-(dimethylamino)propyl-ethylamino]-3-methoxypropan-2-one
CID 107507586
methyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate
CID 60994649
methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate
CID 126976728

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate (CID 102996569) is methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate is CCN(CCCN(C)C)CCCC(C)(NC)C(=O)OC.
What is the InChIKey of methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate?
The InChIKey is MHPSGEZPAPXPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2/c1-7-18(13-9-11-17(4)5)12-8-10-15(2,16-3)14(19)20-6/h16H,7-13H2,1-6H3.
What are the key properties of methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate?
methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate 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 methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 102996569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).