2-(2-methoxyethyl)-2-methylbut-3-en-1-amine

C8H17NO — CID 102640309

IUPAC2-(2-methoxyethyl)-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)CCOC
InChIInChI=1S/C8H17NO/c1-4-8(2,7-9)5-6-10-3/h4H,1,5-7,9H2,2-3H3
InChIKeyIWBWNFVMNFFQAJ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.17
Rot. Bonds5

About 2-(2-methoxyethyl)-2-methylbut-3-en-1-amine

2-(2-methoxyethyl)-2-methylbut-3-en-1-amine (PubChem CID 102640309) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-2-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-2-methylbut-3-en-1-amine
PubChem CID102640309
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(2-methoxyethyl)-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)CCOC
InChIInChI=1S/C8H17NO/c1-4-8(2,7-9)5-6-10-3/h4H,1,5-7,9H2,2-3H3
InChIKeyIWBWNFVMNFFQAJ-UHFFFAOYSA-N
XLogP1.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
CID 102640415
2-(2-ethylsulfonylethyl)-2-methylbut-3-en-1-amine
CID 102640370
2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol
CID 103184970
2-ethenyl-6-methoxy-2-methylhexan-1-ol
CID 102641801
2-ethenyl-2,4-dimethylpentan-1-amine
CID 102640269
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
(3R)-3-(2-methoxyethyl)-3,4,4-trimethylhepta-1,6-diene
CID 90307120
2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butanenitrile;hydrazine
CID 159059543
4-(2-methoxyethyl)hepta-1,6-dien-4-amine;hydrochloride
CID 17365761
N-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine
CID 106457338
2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102641672
ethane;1-methoxy-3,3-dimethylbutane
CID 143141249

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-2-methylbut-3-en-1-amine?
The IUPAC name of 2-(2-methoxyethyl)-2-methylbut-3-en-1-amine (CID 102640309) is 2-(2-methoxyethyl)-2-methylbut-3-en-1-amine.
What is the SMILES notation for 2-(2-methoxyethyl)-2-methylbut-3-en-1-amine?
The canonical SMILES for 2-(2-methoxyethyl)-2-methylbut-3-en-1-amine is C=CC(C)(CN)CCOC.
What is the InChIKey of 2-(2-methoxyethyl)-2-methylbut-3-en-1-amine?
The InChIKey is IWBWNFVMNFFQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-8(2,7-9)5-6-10-3/h4H,1,5-7,9H2,2-3H3.
What are the key properties of 2-(2-methoxyethyl)-2-methylbut-3-en-1-amine?
2-(2-methoxyethyl)-2-methylbut-3-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-2-methylbut-3-en-1-amine is sourced from PubChem (CID 102640309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).