2-(dimethylamino)ethyl 3-imino-2-methylpropanoate

C8H16N2O2 — CID 57281202

IUPAC2-(dimethylamino)ethyl 3-imino-2-methylpropanoate
SMILES[H]/N=C/C(C)C(=O)OCCN(C)C
InChIInChI=1S/C8H16N2O2/c1-7(6-9)8(11)12-5-4-10(2)3/h6-7,9H,4-5H2,1-3H3/b9-6+
InChIKeyIAKMWYGLDYFZKC-RMKNXTFCSA-N
MW172.23 g/mol
LogP0.38
Rot. Bonds5

About 2-(dimethylamino)ethyl 3-imino-2-methylpropanoate

2-(dimethylamino)ethyl 3-imino-2-methylpropanoate (PubChem CID 57281202) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3-imino-2-methylpropanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 3-imino-2-methylpropanoate
PubChem CID57281202
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(dimethylamino)ethyl 3-imino-2-methylpropanoate
SMILES[H]/N=C/C(C)C(=O)OCCN(C)C
InChIInChI=1S/C8H16N2O2/c1-7(6-9)8(11)12-5-4-10(2)3/h6-7,9H,4-5H2,1-3H3/b9-6+
InChIKeyIAKMWYGLDYFZKC-RMKNXTFCSA-N
XLogP0.38
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-Imino-2-methylpropylidene)amino]ethyl acetate
CID 123303702
2-(3-Imino-2-methylpropanoyl)oxyethyl-trimethylazanium
CID 123907955
2,2-Dimethylpropanimidate;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;hydrochloride
CID 178255499

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3-imino-2-methylpropanoate?
The IUPAC name of 2-(dimethylamino)ethyl 3-imino-2-methylpropanoate (CID 57281202) is 2-(dimethylamino)ethyl 3-imino-2-methylpropanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 3-imino-2-methylpropanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 3-imino-2-methylpropanoate is [H]/N=C/C(C)C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 3-imino-2-methylpropanoate?
The InChIKey is IAKMWYGLDYFZKC-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(6-9)8(11)12-5-4-10(2)3/h6-7,9H,4-5H2,1-3H3/b9-6+.
What are the key properties of 2-(dimethylamino)ethyl 3-imino-2-methylpropanoate?
2-(dimethylamino)ethyl 3-imino-2-methylpropanoate has a molecular weight of 172.23 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 3-imino-2-methylpropanoate is sourced from PubChem (CID 57281202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).