methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate

C14H30N2O2 — CID 79620913

IUPACmethyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(CCN(C)C)CC(C)C
InChIInChI=1S/C14H30N2O2/c1-12(2)10-16(9-8-15(5)6)11-14(3,4)13(17)18-7/h12H,8-11H2,1-7H3
InChIKeyMYDILMGXHPNIAE-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.71
Rot. Bonds8

About methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate

methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate (PubChem CID 79620913) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate
PubChem CID79620913
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Namemethyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(CCN(C)C)CC(C)C
InChIInChI=1S/C14H30N2O2/c1-12(2)10-16(9-8-15(5)6)11-14(3,4)13(17)18-7/h12H,8-11H2,1-7H3
InChIKeyMYDILMGXHPNIAE-UHFFFAOYSA-N
XLogP1.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate (CID 79620913) is methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN(CCN(C)C)CC(C)C.
What is the InChIKey of methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate?
The InChIKey is MYDILMGXHPNIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-12(2)10-16(9-8-15(5)6)11-14(3,4)13(17)18-7/h12H,8-11H2,1-7H3.
What are the key properties of methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate?
methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate has a molecular weight of 258.41 g/mol, XLogP of 1.71, 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-(2-methylpropyl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 79620913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).