methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate

C13H28N2O2 — CID 55010482

IUPACmethyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate
SMILESCOC(=O)CCCN(CCN(C)C)CC(C)C
InChIInChI=1S/C13H28N2O2/c1-12(2)11-15(10-9-14(3)4)8-6-7-13(16)17-5/h12H,6-11H2,1-5H3
InChIKeyQXRIRKSYBQLDSK-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.46
Rot. Bonds9

About methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate

methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate (PubChem CID 55010482) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate
PubChem CID55010482
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Namemethyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate
SMILESCOC(=O)CCCN(CCN(C)C)CC(C)C
InChIInChI=1S/C13H28N2O2/c1-12(2)11-15(10-9-14(3)4)8-6-7-13(16)17-5/h12H,6-11H2,1-5H3
InChIKeyQXRIRKSYBQLDSK-UHFFFAOYSA-N
XLogP1.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
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

1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one
CID 114228961
methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate
CID 159622507
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanehydrazide
CID 63585784
methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate
CID 115588181
methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate
CID 62735185
methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate
CID 79620913
methyl 21-methyldocosanoate
CID 14178788
methyl 4-(dihexylamino)butanoate
CID 142540666
methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate
CID 63382982
5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pentanethioamide
CID 55011429
methyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]butanoate
CID 54963729
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate?
The IUPAC name of methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate (CID 55010482) is methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate.
What is the SMILES notation for methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate?
The canonical SMILES for methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate is COC(=O)CCCN(CCN(C)C)CC(C)C.
What is the InChIKey of methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate?
The InChIKey is QXRIRKSYBQLDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12(2)11-15(10-9-14(3)4)8-6-7-13(16)17-5/h12H,6-11H2,1-5H3.
What are the key properties of methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate?
methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate has a molecular weight of 244.38 g/mol, XLogP of 1.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate is sourced from PubChem (CID 55010482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).