methyl 3-[2-(dimethylamino)ethyl-propylamino]-2-methylbutanoate

C13H28N2O2 — CID 79407897

IUPACmethyl 3-[2-(dimethylamino)ethyl-propylamino]-2-methylbutanoate
SMILESCCCN(CCN(C)C)C(C)C(C)C(=O)OC
InChIInChI=1S/C13H28N2O2/c1-7-8-15(10-9-14(4)5)12(3)11(2)13(16)17-6/h11-12H,7-10H2,1-6H3
InChIKeyODKDXLAHBOBMJW-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.46
Rot. Bonds8

About methyl 3-[2-(dimethylamino)ethyl-propylamino]-2-methylbutanoate

methyl 3-[2-(dimethylamino)ethyl-propylamino]-2-methylbutanoate (PubChem CID 79407897) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is methyl 3-[2-(dimethylamino)ethyl-propylamino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[2-(dimethylamino)ethyl-propylamino]-2-methylbutanoate
PubChem CID79407897
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Namemethyl 3-[2-(dimethylamino)ethyl-propylamino]-2-methylbutanoate
SMILESCCCN(CCN(C)C)C(C)C(C)C(=O)OC
InChIInChI=1S/C13H28N2O2/c1-7-8-15(10-9-14(4)5)12(3)11(2)13(16)17-6/h11-12H,7-10H2,1-6H3
InChIKeyODKDXLAHBOBMJW-UHFFFAOYSA-N
XLogP1.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate
CID 79407611
methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate
CID 79406836
methyl 3-[ethyl(propan-2-yl)amino]-2-methylbutanoate
CID 79407101
3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine
CID 79409373
methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate
CID 115612493
methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate
CID 79406690
methyl (2S)-2-[methyl(pentyl)amino]propanoate
CID 21097433
methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate
CID 79397662
methyl (2S)-3-(dipropylamino)-2-methylpropanoate
CID 92938899
methyl 3-(dipropylamino)-2-methylpropanoate
CID 3015534
methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate
CID 63028441
methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate
CID 63028254

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(dimethylamino)ethyl-propylamino]-2-methylbutanoate?
The IUPAC name of methyl 3-[2-(dimethylamino)ethyl-propylamino]-2-methylbutanoate (CID 79407897) is methyl 3-[2-(dimethylamino)ethyl-propylamino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[2-(dimethylamino)ethyl-propylamino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[2-(dimethylamino)ethyl-propylamino]-2-methylbutanoate is CCCN(CCN(C)C)C(C)C(C)C(=O)OC.
What is the InChIKey of methyl 3-[2-(dimethylamino)ethyl-propylamino]-2-methylbutanoate?
The InChIKey is ODKDXLAHBOBMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-7-8-15(10-9-14(4)5)12(3)11(2)13(16)17-6/h11-12H,7-10H2,1-6H3.
What are the key properties of methyl 3-[2-(dimethylamino)ethyl-propylamino]-2-methylbutanoate?
methyl 3-[2-(dimethylamino)ethyl-propylamino]-2-methylbutanoate has a molecular weight of 244.38 g/mol, XLogP of 1.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(dimethylamino)ethyl-propylamino]-2-methylbutanoate is sourced from PubChem (CID 79407897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).