N-ethyl-3-methoxybut-3-en-2-amine

C7H15NO — CID 123169566

IUPACN-ethyl-3-methoxybut-3-en-2-amine
SMILESC=C(OC)C(C)NCC
InChIInChI=1S/C7H15NO/c1-5-8-6(2)7(3)9-4/h6,8H,3,5H2,1-2,4H3
InChIKeyAGGQSXUDZHCDGN-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.14
Rot. Bonds4

About N-ethyl-3-methoxybut-3-en-2-amine

N-ethyl-3-methoxybut-3-en-2-amine (PubChem CID 123169566) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-ethyl-3-methoxybut-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxybut-3-en-2-amine
PubChem CID123169566
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-ethyl-3-methoxybut-3-en-2-amine
SMILESC=C(OC)C(C)NCC
InChIInChI=1S/C7H15NO/c1-5-8-6(2)7(3)9-4/h6,8H,3,5H2,1-2,4H3
InChIKeyAGGQSXUDZHCDGN-UHFFFAOYSA-N
XLogP1.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxybut-3-en-2-amine?
The IUPAC name of N-ethyl-3-methoxybut-3-en-2-amine (CID 123169566) is N-ethyl-3-methoxybut-3-en-2-amine.
What is the SMILES notation for N-ethyl-3-methoxybut-3-en-2-amine?
The canonical SMILES for N-ethyl-3-methoxybut-3-en-2-amine is C=C(OC)C(C)NCC.
What is the InChIKey of N-ethyl-3-methoxybut-3-en-2-amine?
The InChIKey is AGGQSXUDZHCDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-8-6(2)7(3)9-4/h6,8H,3,5H2,1-2,4H3.
What are the key properties of N-ethyl-3-methoxybut-3-en-2-amine?
N-ethyl-3-methoxybut-3-en-2-amine has a molecular weight of 129.20 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxybut-3-en-2-amine is sourced from PubChem (CID 123169566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).