2-(methoxymethyl)-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine

C13H28N2O2 — CID 114466700

IUPAC2-(methoxymethyl)-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
SMILESC=C(C)COCCNC(CN)(COC)C(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)8-17-7-6-15-13(9-14,10-16-5)12(3)4/h12,15H,1,6-10,14H2,2-5H3
InChIKeyOGJCANCVOOTTEG-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.17
Rot. Bonds10

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

2-(methoxymethyl)-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine (PubChem CID 114466700) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-(methoxymethyl)-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
PubChem CID114466700
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-(methoxymethyl)-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
SMILESC=C(C)COCCNC(CN)(COC)C(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)8-17-7-6-15-13(9-14,10-16-5)12(3)4/h12,15H,1,6-10,14H2,2-5H3
InChIKeyOGJCANCVOOTTEG-UHFFFAOYSA-N
XLogP1.17
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.17
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

1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 103563191
1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropan-1-amine
CID 106661390
1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 106822338
1-(aminomethyl)-3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 106822339
N'-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442860
N'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 107446237
4,4-dimethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
CID 113589209
2-cyclopropyl-3-methoxy-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine
CID 113589235
2,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 113589295
2-(methoxymethyl)-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
CID 114466162
2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine
CID 114466189
3-ethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine
CID 114466191

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The IUPAC name of 2-(methoxymethyl)-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine (CID 114466700) is 2-(methoxymethyl)-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine.
What is the SMILES notation for 2-(methoxymethyl)-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The canonical SMILES for 2-(methoxymethyl)-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine is C=C(C)COCCNC(CN)(COC)C(C)C.
What is the InChIKey of 2-(methoxymethyl)-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The InChIKey is OGJCANCVOOTTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)8-17-7-6-15-13(9-14,10-16-5)12(3)4/h12,15H,1,6-10,14H2,2-5H3.
What are the key properties of 2-(methoxymethyl)-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
2-(methoxymethyl)-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 1.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine is sourced from PubChem (CID 114466700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).