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

C8H17NO — CID 62549715

IUPACN-(2-methoxyethyl)-2-methylbut-3-en-1-amine
SMILESC=CC(C)CNCCOC
InChIInChI=1S/C8H17NO/c1-4-8(2)7-9-5-6-10-3/h4,8-9H,1,5-7H2,2-3H3
InChIKeyIHIVMUWYOYZYKP-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.04
Rot. Bonds6

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

N-(2-methoxyethyl)-2-methylbut-3-en-1-amine (PubChem CID 62549715) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methylbut-3-en-1-amine
PubChem CID62549715
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(2-methoxyethyl)-2-methylbut-3-en-1-amine
SMILESC=CC(C)CNCCOC
InChIInChI=1S/C8H17NO/c1-4-8(2)7-9-5-6-10-3/h4,8-9H,1,5-7H2,2-3H3
InChIKeyIHIVMUWYOYZYKP-UHFFFAOYSA-N
XLogP1.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(2-Methoxyethyl)but-3-en-1-amine
CID 62548500
N-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine
CID 106401431
N-methyl-2-pent-4-enoxyethanamine
CID 55299295
N-(1-methoxypropan-2-yl)but-3-en-1-amine
CID 57591334
N-(2-methoxyethyl)pent-4-en-1-amine
CID 62602902
1-ethoxy-N-ethylpent-4-en-2-amine
CID 65670324
N-(2-but-3-enoxyethyl)-2-propoxyethanamine
CID 106401975
2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine
CID 121299844
2-pent-1-enoxy-N-(2-pent-1-enoxyethyl)ethanamine
CID 121299855
2-[[(2S)-2-methylbut-3-enyl]amino]ethanol
CID 138660513
but-1-ene;N-(2-methoxyethyl)-2-methylpropanethioamide
CID 142012114
ethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene
CID 143227142

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methylbut-3-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methylbut-3-en-1-amine (CID 62549715) is N-(2-methoxyethyl)-2-methylbut-3-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methylbut-3-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methylbut-3-en-1-amine is C=CC(C)CNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-methylbut-3-en-1-amine?
The InChIKey is IHIVMUWYOYZYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-8(2)7-9-5-6-10-3/h4,8-9H,1,5-7H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-2-methylbut-3-en-1-amine?
N-(2-methoxyethyl)-2-methylbut-3-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methylbut-3-en-1-amine is sourced from PubChem (CID 62549715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).