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

C12H26N2O2 — CID 114466162

IUPAC2-(methoxymethyl)-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
SMILESC=C(C)COCCNC(CC)(CN)COC
InChIInChI=1S/C12H26N2O2/c1-5-12(9-13,10-15-4)14-6-7-16-8-11(2)3/h14H,2,5-10,13H2,1,3-4H3
InChIKeyIZGYAUWYJIBRAC-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.92
Rot. Bonds10

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

2-(methoxymethyl)-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine (PubChem CID 114466162) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-(methoxymethyl)-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
PubChem CID114466162
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(methoxymethyl)-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
SMILESC=C(C)COCCNC(CC)(CN)COC
InChIInChI=1S/C12H26N2O2/c1-5-12(9-13,10-15-4)14-6-7-16-8-11(2)3/h14H,2,5-10,13H2,1,3-4H3
InChIKeyIZGYAUWYJIBRAC-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

3-methoxy-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 103033655
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
4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 106675828
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'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 107446237
2-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 108422717
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-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]heptane-1,2-diamine
CID 113589253
2,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 113589295

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The IUPAC name of 2-(methoxymethyl)-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine (CID 114466162) is 2-(methoxymethyl)-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine.
What is the SMILES notation for 2-(methoxymethyl)-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The canonical SMILES for 2-(methoxymethyl)-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine is C=C(C)COCCNC(CC)(CN)COC.
What is the InChIKey of 2-(methoxymethyl)-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The InChIKey is IZGYAUWYJIBRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-12(9-13,10-15-4)14-6-7-16-8-11(2)3/h14H,2,5-10,13H2,1,3-4H3.
What are the key properties of 2-(methoxymethyl)-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
2-(methoxymethyl)-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-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 2-(methoxymethyl)-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine is sourced from PubChem (CID 114466162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).