1-ethoxy-N-ethyl-3-methylbut-3-en-2-amine

C9H19NO — CID 79179510

IUPAC1-ethoxy-N-ethyl-3-methylbut-3-en-2-amine
SMILESC=C(C)C(COCC)NCC
InChIInChI=1S/C9H19NO/c1-5-10-9(8(3)4)7-11-6-2/h9-10H,3,5-7H2,1-2,4H3
InChIKeyAXMKMEKXVONCLR-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds6

About 1-ethoxy-N-ethyl-3-methylbut-3-en-2-amine

1-ethoxy-N-ethyl-3-methylbut-3-en-2-amine (PubChem CID 79179510) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-ethoxy-N-ethyl-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-ethyl-3-methylbut-3-en-2-amine
PubChem CID79179510
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-ethoxy-N-ethyl-3-methylbut-3-en-2-amine
SMILESC=C(C)C(COCC)NCC
InChIInChI=1S/C9H19NO/c1-5-10-9(8(3)4)7-11-6-2/h9-10H,3,5-7H2,1-2,4H3
InChIKeyAXMKMEKXVONCLR-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-ethyl-3-methylbut-3-en-2-amine?
The IUPAC name of 1-ethoxy-N-ethyl-3-methylbut-3-en-2-amine (CID 79179510) is 1-ethoxy-N-ethyl-3-methylbut-3-en-2-amine.
What is the SMILES notation for 1-ethoxy-N-ethyl-3-methylbut-3-en-2-amine?
The canonical SMILES for 1-ethoxy-N-ethyl-3-methylbut-3-en-2-amine is C=C(C)C(COCC)NCC.
What is the InChIKey of 1-ethoxy-N-ethyl-3-methylbut-3-en-2-amine?
The InChIKey is AXMKMEKXVONCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-10-9(8(3)4)7-11-6-2/h9-10H,3,5-7H2,1-2,4H3.
What are the key properties of 1-ethoxy-N-ethyl-3-methylbut-3-en-2-amine?
1-ethoxy-N-ethyl-3-methylbut-3-en-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-ethyl-3-methylbut-3-en-2-amine is sourced from PubChem (CID 79179510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).