N-(2-methoxyethyl)but-2-en-1-amine

C7H15NO — CID 174817450

IUPACN-(2-methoxyethyl)but-2-en-1-amine
SMILESCC=CCNCCOC
InChIInChI=1S/C7H15NO/c1-3-4-5-8-6-7-9-2/h3-4,8H,5-7H2,1-2H3
InChIKeyAXERCACLWJOCAP-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.80
Rot. Bonds5

About N-(2-methoxyethyl)but-2-en-1-amine

N-(2-methoxyethyl)but-2-en-1-amine (PubChem CID 174817450) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-(2-methoxyethyl)but-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)but-2-en-1-amine
PubChem CID174817450
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-(2-methoxyethyl)but-2-en-1-amine
SMILESCC=CCNCCOC
InChIInChI=1S/C7H15NO/c1-3-4-5-8-6-7-9-2/h3-4,8H,5-7H2,1-2H3
InChIKeyAXERCACLWJOCAP-UHFFFAOYSA-N
XLogP0.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.80
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)but-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)but-2-en-1-amine (CID 174817450) is N-(2-methoxyethyl)but-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)but-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)but-2-en-1-amine is CC=CCNCCOC.
What is the InChIKey of N-(2-methoxyethyl)but-2-en-1-amine?
The InChIKey is AXERCACLWJOCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-5-8-6-7-9-2/h3-4,8H,5-7H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)but-2-en-1-amine?
N-(2-methoxyethyl)but-2-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)but-2-en-1-amine is sourced from PubChem (CID 174817450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).