4-methoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine

C12H26N2O2 — CID 114466218

IUPAC4-methoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
SMILESC=C(C)COCCNC(C)(CN)CCOC
InChIInChI=1S/C12H26N2O2/c1-11(2)9-16-8-6-14-12(3,10-13)5-7-15-4/h14H,1,5-10,13H2,2-4H3
InChIKeyRXNJQILRMRJSTK-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.92
Rot. Bonds10

About 4-methoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine

4-methoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine (PubChem CID 114466218) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-methoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
PubChem CID114466218
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-methoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
SMILESC=C(C)COCCNC(C)(CN)CCOC
InChIInChI=1S/C12H26N2O2/c1-11(2)9-16-8-6-14-12(3,10-13)5-7-15-4/h14H,1,5-10,13H2,2-4H3
InChIKeyRXNJQILRMRJSTK-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

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
2,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 113589295
5-Ethyl-2,5-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine
CID 113589738
2-(methoxymethyl)-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
CID 114466162
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 4-methoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The IUPAC name of 4-methoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine (CID 114466218) is 4-methoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The canonical SMILES for 4-methoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine is C=C(C)COCCNC(C)(CN)CCOC.
What is the InChIKey of 4-methoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The InChIKey is RXNJQILRMRJSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(2)9-16-8-6-14-12(3,10-13)5-7-15-4/h14H,1,5-10,13H2,2-4H3.
What are the key properties of 4-methoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
4-methoxy-2-methyl-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 4-methoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine is sourced from PubChem (CID 114466218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).