N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine

C9H17N3 — CID 166858609

IUPACN-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine
SMILESCC/C=C/CN1CCN/C1=N\C
InChIInChI=1S/C9H17N3/c1-3-4-5-7-12-8-6-11-9(12)10-2/h4-5H,3,6-8H2,1-2H3,(H,10,11)/b5-4+
InChIKeyPOIIRWSTWLJCJK-SNAWJCMRSA-N
MW167.26 g/mol
LogP0.84
Rot. Bonds3

About N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine

N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine (PubChem CID 166858609) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine.

Molecular Properties

Compound NameN-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine
PubChem CID166858609
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine
SMILESCC/C=C/CN1CCN/C1=N\C
InChIInChI=1S/C9H17N3/c1-3-4-5-7-12-8-6-11-9(12)10-2/h4-5H,3,6-8H2,1-2H3,(H,10,11)/b5-4+
InChIKeyPOIIRWSTWLJCJK-SNAWJCMRSA-N
XLogP0.84
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.84
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 N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine?
The IUPAC name of N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine (CID 166858609) is N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine.
What is the SMILES notation for N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine?
The canonical SMILES for N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine is CC/C=C/CN1CCN/C1=N\C.
What is the InChIKey of N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine?
The InChIKey is POIIRWSTWLJCJK-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-4-5-7-12-8-6-11-9(12)10-2/h4-5H,3,6-8H2,1-2H3,(H,10,11)/b5-4+.
What are the key properties of N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine?
N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine has a molecular weight of 167.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine is sourced from PubChem (CID 166858609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).