1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine

C13H23N3 — CID 166858632

IUPAC1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine
SMILES[H]N=C1N(C/C=C/CC)CCN1C/C=C/CC
InChIInChI=1S/C13H23N3/c1-3-5-7-9-15-11-12-16(13(15)14)10-8-6-4-2/h5-8,14H,3-4,9-12H2,1-2H3/b7-5+,8-6+
InChIKeyXACGNCGGQCOTCB-KQQUZDAGSA-N
MW221.35 g/mol
LogP2.47
Rot. Bonds6

About 1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine

1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine (PubChem CID 166858632) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine.

Molecular Properties

Compound Name1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine
PubChem CID166858632
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine
SMILES[H]N=C1N(C/C=C/CC)CCN1C/C=C/CC
InChIInChI=1S/C13H23N3/c1-3-5-7-9-15-11-12-16(13(15)14)10-8-6-4-2/h5-8,14H,3-4,9-12H2,1-2H3/b7-5+,8-6+
InChIKeyXACGNCGGQCOTCB-KQQUZDAGSA-N
XLogP2.47
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine?
The IUPAC name of 1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine (CID 166858632) is 1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine.
What is the SMILES notation for 1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine?
The canonical SMILES for 1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine is [H]N=C1N(C/C=C/CC)CCN1C/C=C/CC.
What is the InChIKey of 1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine?
The InChIKey is XACGNCGGQCOTCB-KQQUZDAGSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-5-7-9-15-11-12-16(13(15)14)10-8-6-4-2/h5-8,14H,3-4,9-12H2,1-2H3/b7-5+,8-6+.
What are the key properties of 1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine?
1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine has a molecular weight of 221.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine is sourced from PubChem (CID 166858632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).