1-[(Z)-2-(1-imidazolidin-1-ylethyl)but-2-enyl]imidazolidine

C12H24N4 — CID 18547093

IUPAC1-[(Z)-2-(1-imidazolidin-1-ylethyl)but-2-enyl]imidazolidine
SMILESC/C=C(/CN1CCNC1)C(C)N1CCNC1
InChIInChI=1S/C12H24N4/c1-3-12(8-15-6-4-13-9-15)11(2)16-7-5-14-10-16/h3,11,13-14H,4-10H2,1-2H3/b12-3-
InChIKeyGPQGRTIKIDTPJP-BASWHVEKSA-N
MW224.35 g/mol
LogP0.05
Rot. Bonds4

About 1-[(Z)-2-(1-imidazolidin-1-ylethyl)but-2-enyl]imidazolidine

1-[(Z)-2-(1-imidazolidin-1-ylethyl)but-2-enyl]imidazolidine (PubChem CID 18547093) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[(Z)-2-(1-imidazolidin-1-ylethyl)but-2-enyl]imidazolidine.

Molecular Properties

Compound Name1-[(Z)-2-(1-imidazolidin-1-ylethyl)but-2-enyl]imidazolidine
PubChem CID18547093
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-[(Z)-2-(1-imidazolidin-1-ylethyl)but-2-enyl]imidazolidine
SMILESC/C=C(/CN1CCNC1)C(C)N1CCNC1
InChIInChI=1S/C12H24N4/c1-3-12(8-15-6-4-13-9-15)11(2)16-7-5-14-10-16/h3,11,13-14H,4-10H2,1-2H3/b12-3-
InChIKeyGPQGRTIKIDTPJP-BASWHVEKSA-N
XLogP0.05
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(Z)-2-(1-imidazolidin-1-ylethyl)but-2-enyl]imidazolidine?
The IUPAC name of 1-[(Z)-2-(1-imidazolidin-1-ylethyl)but-2-enyl]imidazolidine (CID 18547093) is 1-[(Z)-2-(1-imidazolidin-1-ylethyl)but-2-enyl]imidazolidine.
What is the SMILES notation for 1-[(Z)-2-(1-imidazolidin-1-ylethyl)but-2-enyl]imidazolidine?
The canonical SMILES for 1-[(Z)-2-(1-imidazolidin-1-ylethyl)but-2-enyl]imidazolidine is C/C=C(/CN1CCNC1)C(C)N1CCNC1.
What is the InChIKey of 1-[(Z)-2-(1-imidazolidin-1-ylethyl)but-2-enyl]imidazolidine?
The InChIKey is GPQGRTIKIDTPJP-BASWHVEKSA-N. The full InChI is InChI=1S/C12H24N4/c1-3-12(8-15-6-4-13-9-15)11(2)16-7-5-14-10-16/h3,11,13-14H,4-10H2,1-2H3/b12-3-.
What are the key properties of 1-[(Z)-2-(1-imidazolidin-1-ylethyl)but-2-enyl]imidazolidine?
1-[(Z)-2-(1-imidazolidin-1-ylethyl)but-2-enyl]imidazolidine has a molecular weight of 224.35 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(1-imidazolidin-1-ylethyl)but-2-enyl]imidazolidine is sourced from PubChem (CID 18547093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).