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

C8H17NO — CID 78913895

IUPACN-(2-methoxyethyl)-3-methylbut-2-en-1-amine
SMILESCOCCNCC=C(C)C
InChIInChI=1S/C8H17NO/c1-8(2)4-5-9-6-7-10-3/h4,9H,5-7H2,1-3H3
InChIKeyROQVSQWQYJGVAY-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.19
Rot. Bonds5

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

N-(2-methoxyethyl)-3-methylbut-2-en-1-amine (PubChem CID 78913895) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methylbut-2-en-1-amine
PubChem CID78913895
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(2-methoxyethyl)-3-methylbut-2-en-1-amine
SMILESCOCCNCC=C(C)C
InChIInChI=1S/C8H17NO/c1-8(2)4-5-9-6-7-10-3/h4,9H,5-7H2,1-3H3
InChIKeyROQVSQWQYJGVAY-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 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 ≤ 51.19
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methylbut-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-methylbut-2-en-1-amine (CID 78913895) is N-(2-methoxyethyl)-3-methylbut-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-methylbut-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-methylbut-2-en-1-amine is COCCNCC=C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3-methylbut-2-en-1-amine?
The InChIKey is ROQVSQWQYJGVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2)4-5-9-6-7-10-3/h4,9H,5-7H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-3-methylbut-2-en-1-amine?
N-(2-methoxyethyl)-3-methylbut-2-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methylbut-2-en-1-amine is sourced from PubChem (CID 78913895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).