1-(2-ethylbut-2-enyl)imidazolidine

C9H18N2 — CID 70169392

IUPAC1-(2-ethylbut-2-enyl)imidazolidine
SMILESCC=C(CC)CN1CCNC1
InChIInChI=1S/C9H18N2/c1-3-9(4-2)7-11-6-5-10-8-11/h3,10H,4-8H2,1-2H3
InChIKeyAESZIKSELAJXTG-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.21
Rot. Bonds3

About 1-(2-ethylbut-2-enyl)imidazolidine

1-(2-ethylbut-2-enyl)imidazolidine (PubChem CID 70169392) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-(2-ethylbut-2-enyl)imidazolidine.

Molecular Properties

Compound Name1-(2-ethylbut-2-enyl)imidazolidine
PubChem CID70169392
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-(2-ethylbut-2-enyl)imidazolidine
SMILESCC=C(CC)CN1CCNC1
InChIInChI=1S/C9H18N2/c1-3-9(4-2)7-11-6-5-10-8-11/h3,10H,4-8H2,1-2H3
InChIKeyAESZIKSELAJXTG-UHFFFAOYSA-N
XLogP1.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.21
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-(2-ethylbut-2-enyl)imidazolidine?
The IUPAC name of 1-(2-ethylbut-2-enyl)imidazolidine (CID 70169392) is 1-(2-ethylbut-2-enyl)imidazolidine.
What is the SMILES notation for 1-(2-ethylbut-2-enyl)imidazolidine?
The canonical SMILES for 1-(2-ethylbut-2-enyl)imidazolidine is CC=C(CC)CN1CCNC1.
What is the InChIKey of 1-(2-ethylbut-2-enyl)imidazolidine?
The InChIKey is AESZIKSELAJXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-9(4-2)7-11-6-5-10-8-11/h3,10H,4-8H2,1-2H3.
What are the key properties of 1-(2-ethylbut-2-enyl)imidazolidine?
1-(2-ethylbut-2-enyl)imidazolidine has a molecular weight of 154.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbut-2-enyl)imidazolidine is sourced from PubChem (CID 70169392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).