methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoate

C11H25N3O2 — CID 63699450

IUPACmethyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoate
SMILESCCNC(CN(C)CCN(C)C)C(=O)OC
InChIInChI=1S/C11H25N3O2/c1-6-12-10(11(15)16-5)9-14(4)8-7-13(2)3/h10,12H,6-9H2,1-5H3
InChIKeyCAAXMZHUTLZAGG-UHFFFAOYSA-N
MW231.34 g/mol
LogP-0.37
Rot. Bonds8

About methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoate

methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoate (PubChem CID 63699450) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoate
PubChem CID63699450
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Namemethyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoate
SMILESCCNC(CN(C)CCN(C)C)C(=O)OC
InChIInChI=1S/C11H25N3O2/c1-6-12-10(11(15)16-5)9-14(4)8-7-13(2)3/h10,12H,6-9H2,1-5H3
InChIKeyCAAXMZHUTLZAGG-UHFFFAOYSA-N
XLogP-0.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoate?
The IUPAC name of methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoate (CID 63699450) is methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoate.
What is the SMILES notation for methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoate?
The canonical SMILES for methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoate is CCNC(CN(C)CCN(C)C)C(=O)OC.
What is the InChIKey of methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoate?
The InChIKey is CAAXMZHUTLZAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-6-12-10(11(15)16-5)9-14(4)8-7-13(2)3/h10,12H,6-9H2,1-5H3.
What are the key properties of methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoate?
methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoate has a molecular weight of 231.34 g/mol, XLogP of -0.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoate is sourced from PubChem (CID 63699450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).