methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium

C7H15NO — CID 155624962

IUPACmethanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
SMILESC=C(C)COCC[NH2+][CH2-]
InChIInChI=1S/C7H15NO/c1-7(2)6-9-5-4-8-3/h1,3-6,8H2,2H3
InChIKeyYSWSTOGKFIQLFK-UHFFFAOYSA-N
MW129.20 g/mol
LogP-0.07
Rot. Bonds5

About methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium

methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium (PubChem CID 155624962) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium.

Molecular Properties

Compound Namemethanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
PubChem CID155624962
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Namemethanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
SMILESC=C(C)COCC[NH2+][CH2-]
InChIInChI=1S/C7H15NO/c1-7(2)6-9-5-4-8-3/h1,3-6,8H2,2H3
InChIKeyYSWSTOGKFIQLFK-UHFFFAOYSA-N
XLogP-0.07
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methyl[2-(prop-2-en-1-yloxy)ethyl]amine hydrochloride
CID 154803684
Methyl[2-(prop-2-en-1-yloxy)ethyl]amine
CID 58684300
N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 114467132
2,2-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114467227
2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114467454
3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467702
N-[2-(2-methylprop-2-enoxy)ethyl]formamide
CID 18401322
N-methyl-2-(2-methylprop-2-enoxy)ethanamine
CID 22947404
3-((2-Methylallyl)oxy)azetidine
CID 53403967
N-methyl-2-(3-methylbut-2-enoxy)ethanamine
CID 58684011
2-[(E)-but-2-enoxy]-N-methylethanamine
CID 58684492
2-[(2-Methylprop-2-en-1-yl)oxy]ethan-1-amine
CID 58684529

Frequently Asked Questions

What is the IUPAC name of methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
The IUPAC name of methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium (CID 155624962) is methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium.
What is the SMILES notation for methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
The canonical SMILES for methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium is C=C(C)COCC[NH2+][CH2-].
What is the InChIKey of methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
The InChIKey is YSWSTOGKFIQLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)6-9-5-4-8-3/h1,3-6,8H2,2H3.
What are the key properties of methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium has a molecular weight of 129.20 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium is sourced from PubChem (CID 155624962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).