N-ethoxy-N-ethylbut-3-en-1-amine

C8H17NO — CID 154089069

IUPACN-ethoxy-N-ethylbut-3-en-1-amine
SMILESC=CCCN(CC)OCC
InChIInChI=1S/C8H17NO/c1-4-7-8-9(5-2)10-6-3/h4H,1,5-8H2,2-3H3
InChIKeyLAWRUOMCQXMGSK-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.84
Rot. Bonds6

About N-ethoxy-N-ethylbut-3-en-1-amine

N-ethoxy-N-ethylbut-3-en-1-amine (PubChem CID 154089069) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-ethoxy-N-ethylbut-3-en-1-amine.

Molecular Properties

Compound NameN-ethoxy-N-ethylbut-3-en-1-amine
PubChem CID154089069
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-ethoxy-N-ethylbut-3-en-1-amine
SMILESC=CCCN(CC)OCC
InChIInChI=1S/C8H17NO/c1-4-7-8-9(5-2)10-6-3/h4H,1,5-8H2,2-3H3
InChIKeyLAWRUOMCQXMGSK-UHFFFAOYSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-N-ethylbut-3-en-1-amine?
The IUPAC name of N-ethoxy-N-ethylbut-3-en-1-amine (CID 154089069) is N-ethoxy-N-ethylbut-3-en-1-amine.
What is the SMILES notation for N-ethoxy-N-ethylbut-3-en-1-amine?
The canonical SMILES for N-ethoxy-N-ethylbut-3-en-1-amine is C=CCCN(CC)OCC.
What is the InChIKey of N-ethoxy-N-ethylbut-3-en-1-amine?
The InChIKey is LAWRUOMCQXMGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7-8-9(5-2)10-6-3/h4H,1,5-8H2,2-3H3.
What are the key properties of N-ethoxy-N-ethylbut-3-en-1-amine?
N-ethoxy-N-ethylbut-3-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N-ethylbut-3-en-1-amine is sourced from PubChem (CID 154089069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).