3-ethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine

C12H26N2O2 — CID 114466191

IUPAC3-ethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine
SMILESC=C(C)COCCNC(C)(CN)COCC
InChIInChI=1S/C12H26N2O2/c1-5-15-10-12(4,9-13)14-6-7-16-8-11(2)3/h14H,2,5-10,13H2,1,3-4H3
InChIKeyODEDOMHNCAUCKW-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.92
Rot. Bonds10

About 3-ethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine

3-ethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine (PubChem CID 114466191) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-ethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name3-ethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine
PubChem CID114466191
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-ethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine
SMILESC=C(C)COCCNC(C)(CN)COCC
InChIInChI=1S/C12H26N2O2/c1-5-15-10-12(4,9-13)14-6-7-16-8-11(2)3/h14H,2,5-10,13H2,1,3-4H3
InChIKeyODEDOMHNCAUCKW-UHFFFAOYSA-N
XLogP0.92
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Methylprop-2-enoxymethyl)piperazine
CID 58625933
N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
(2R)-2-(2-methylprop-2-enoxymethyl)piperazine
CID 69214785
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 87899351
N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 62342401
1-[2-(2-Methylprop-2-enoxy)ethyl]piperazine
CID 82353032
2-(3-methoxypropoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 103179558
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine
CID 106452619
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine
CID 106452620
1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropan-1-amine
CID 106661390
N'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 107446237
3,3-dimethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine
CID 113589290

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine?
The IUPAC name of 3-ethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine (CID 114466191) is 3-ethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine.
What is the SMILES notation for 3-ethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine?
The canonical SMILES for 3-ethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine is C=C(C)COCCNC(C)(CN)COCC.
What is the InChIKey of 3-ethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine?
The InChIKey is ODEDOMHNCAUCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-15-10-12(4,9-13)14-6-7-16-8-11(2)3/h14H,2,5-10,13H2,1,3-4H3.
What are the key properties of 3-ethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine?
3-ethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine is sourced from PubChem (CID 114466191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).