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

C12H26N2O2 — CID 114466401

IUPAC4-methoxy-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C(C)COC
InChIInChI=1S/C12H26N2O2/c1-10(2)8-16-6-5-14-12(7-13)11(3)9-15-4/h11-12,14H,1,5-9,13H2,2-4H3
InChIKeyMKQCJCMZBYVEIU-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.78
Rot. Bonds10

About 4-methoxy-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine

4-methoxy-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine (PubChem CID 114466401) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-methoxy-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
PubChem CID114466401
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-methoxy-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C(C)COC
InChIInChI=1S/C12H26N2O2/c1-10(2)8-16-6-5-14-12(7-13)11(3)9-15-4/h11-12,14H,1,5-9,13H2,2-4H3
InChIKeyMKQCJCMZBYVEIU-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
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

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
4,4-dimethoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
CID 113589209
5-Ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-ylpiperazine
CID 113589727
3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 114200861
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
2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466208
4-methoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
CID 114466218
3-methoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine
CID 114466296
3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
CID 114466339

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The IUPAC name of 4-methoxy-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine (CID 114466401) is 4-methoxy-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The canonical SMILES for 4-methoxy-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine is C=C(C)COCCNC(CN)C(C)COC.
What is the InChIKey of 4-methoxy-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The InChIKey is MKQCJCMZBYVEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)8-16-6-5-14-12(7-13)11(3)9-15-4/h11-12,14H,1,5-9,13H2,2-4H3.
What are the key properties of 4-methoxy-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
4-methoxy-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.78, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine is sourced from PubChem (CID 114466401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).