1-ethyl-2-methyl-3-prop-2-enylimidazolidine

C9H18N2 — CID 90206151

IUPAC1-ethyl-2-methyl-3-prop-2-enylimidazolidine
SMILESC=CCN1CCN(CC)C1C
InChIInChI=1S/C9H18N2/c1-4-6-11-8-7-10(5-2)9(11)3/h4,9H,1,5-8H2,2-3H3
InChIKeyNPTOEWSYJIUOEC-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.16
Rot. Bonds3

About 1-ethyl-2-methyl-3-prop-2-enylimidazolidine

1-ethyl-2-methyl-3-prop-2-enylimidazolidine (PubChem CID 90206151) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-ethyl-2-methyl-3-prop-2-enylimidazolidine.

Molecular Properties

Compound Name1-ethyl-2-methyl-3-prop-2-enylimidazolidine
PubChem CID90206151
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-ethyl-2-methyl-3-prop-2-enylimidazolidine
SMILESC=CCN1CCN(CC)C1C
InChIInChI=1S/C9H18N2/c1-4-6-11-8-7-10(5-2)9(11)3/h4,9H,1,5-8H2,2-3H3
InChIKeyNPTOEWSYJIUOEC-UHFFFAOYSA-N
XLogP1.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.16
H-Bond Donors ≤ 50
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-ethyl-2-methyl-3-prop-2-enylimidazolidine?
The IUPAC name of 1-ethyl-2-methyl-3-prop-2-enylimidazolidine (CID 90206151) is 1-ethyl-2-methyl-3-prop-2-enylimidazolidine.
What is the SMILES notation for 1-ethyl-2-methyl-3-prop-2-enylimidazolidine?
The canonical SMILES for 1-ethyl-2-methyl-3-prop-2-enylimidazolidine is C=CCN1CCN(CC)C1C.
What is the InChIKey of 1-ethyl-2-methyl-3-prop-2-enylimidazolidine?
The InChIKey is NPTOEWSYJIUOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-6-11-8-7-10(5-2)9(11)3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 1-ethyl-2-methyl-3-prop-2-enylimidazolidine?
1-ethyl-2-methyl-3-prop-2-enylimidazolidine has a molecular weight of 154.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-3-prop-2-enylimidazolidine is sourced from PubChem (CID 90206151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).