N-ethyl-2-(3-methylbut-2-enoxy)ethanamine

C9H19NO — CID 62336668

IUPACN-ethyl-2-(3-methylbut-2-enoxy)ethanamine
SMILESCCNCCOCC=C(C)C
InChIInChI=1S/C9H19NO/c1-4-10-6-8-11-7-5-9(2)3/h5,10H,4,6-8H2,1-3H3
InChIKeyWBUOYLCKTOUWBB-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds6

About N-ethyl-2-(3-methylbut-2-enoxy)ethanamine

N-ethyl-2-(3-methylbut-2-enoxy)ethanamine (PubChem CID 62336668) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-ethyl-2-(3-methylbut-2-enoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylbut-2-enoxy)ethanamine
PubChem CID62336668
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-ethyl-2-(3-methylbut-2-enoxy)ethanamine
SMILESCCNCCOCC=C(C)C
InChIInChI=1S/C9H19NO/c1-4-10-6-8-11-7-5-9(2)3/h5,10H,4,6-8H2,1-3H3
InChIKeyWBUOYLCKTOUWBB-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': '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-ethyl-2-(3-methylbut-2-enoxy)ethanamine?
The IUPAC name of N-ethyl-2-(3-methylbut-2-enoxy)ethanamine (CID 62336668) is N-ethyl-2-(3-methylbut-2-enoxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-methylbut-2-enoxy)ethanamine?
The canonical SMILES for N-ethyl-2-(3-methylbut-2-enoxy)ethanamine is CCNCCOCC=C(C)C.
What is the InChIKey of N-ethyl-2-(3-methylbut-2-enoxy)ethanamine?
The InChIKey is WBUOYLCKTOUWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-10-6-8-11-7-5-9(2)3/h5,10H,4,6-8H2,1-3H3.
What are the key properties of N-ethyl-2-(3-methylbut-2-enoxy)ethanamine?
N-ethyl-2-(3-methylbut-2-enoxy)ethanamine 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 N-ethyl-2-(3-methylbut-2-enoxy)ethanamine is sourced from PubChem (CID 62336668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).