2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol

C12H25NO2 — CID 106397096

IUPAC2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol
SMILESC=CCCOCCNCC(C)(CC)CO
InChIInChI=1S/C12H25NO2/c1-4-6-8-15-9-7-13-10-12(3,5-2)11-14/h4,13-14H,1,5-11H2,2-3H3
InChIKeySJIVOYGCQCEITC-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.58
Rot. Bonds10

About 2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol

2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol (PubChem CID 106397096) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol
PubChem CID106397096
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol
SMILESC=CCCOCCNCC(C)(CC)CO
InChIInChI=1S/C12H25NO2/c1-4-6-8-15-9-7-13-10-12(3,5-2)11-14/h4,13-14H,1,5-11H2,2-3H3
InChIKeySJIVOYGCQCEITC-UHFFFAOYSA-N
XLogP1.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methoxyethoxy)ethylamino]methyl]-2-methylbutan-1-ol
CID 81418619
2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide
CID 106401580
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
2-[(2-aminoethylamino)methyl]-2-methylbutan-1-ol
CID 81418901
2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine
CID 104668737
2-methyl-2-[(3-propan-2-yloxypropylamino)methyl]butan-1-ol
CID 81412865
N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide
CID 103855692
2-(2-but-3-enoxyethylcarbamoylamino)-2-ethylbutanoic acid
CID 106404920
3-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanenitrile
CID 81413090
N-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine
CID 106401321
2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol
CID 81419151
ethyl 6-(2-but-3-enoxyethylamino)hexanoate
CID 106401753

Frequently Asked Questions

What is the IUPAC name of 2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol (CID 106397096) is 2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol is C=CCCOCCNCC(C)(CC)CO.
What is the InChIKey of 2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol?
The InChIKey is SJIVOYGCQCEITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-6-8-15-9-7-13-10-12(3,5-2)11-14/h4,13-14H,1,5-11H2,2-3H3.
What are the key properties of 2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol?
2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.58, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 106397096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).