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

C10H19N3 — CID 166858736

IUPACN,1-dimethyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine
SMILESCC/C=C/CN1CCN(C)/C1=N\C
InChIInChI=1S/C10H19N3/c1-4-5-6-7-13-9-8-12(3)10(13)11-2/h5-6H,4,7-9H2,1-3H3/b6-5+,11-10+
InChIKeyZIGWWNUCBKERLJ-RINXSNKBSA-N
MW181.28 g/mol
LogP1.19
Rot. Bonds3

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

N,1-dimethyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine (PubChem CID 166858736) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N,1-dimethyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine.

Molecular Properties

Compound NameN,1-dimethyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine
PubChem CID166858736
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN,1-dimethyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine
SMILESCC/C=C/CN1CCN(C)/C1=N\C
InChIInChI=1S/C10H19N3/c1-4-5-6-7-13-9-8-12(3)10(13)11-2/h5-6H,4,7-9H2,1-3H3/b6-5+,11-10+
InChIKeyZIGWWNUCBKERLJ-RINXSNKBSA-N
XLogP1.19
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.19
H-Bond Donors ≤ 50
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,1-dimethyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine?
The IUPAC name of N,1-dimethyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine (CID 166858736) is N,1-dimethyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine.
What is the SMILES notation for N,1-dimethyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine?
The canonical SMILES for N,1-dimethyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine is CC/C=C/CN1CCN(C)/C1=N\C.
What is the InChIKey of N,1-dimethyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine?
The InChIKey is ZIGWWNUCBKERLJ-RINXSNKBSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-5-6-7-13-9-8-12(3)10(13)11-2/h5-6H,4,7-9H2,1-3H3/b6-5+,11-10+.
What are the key properties of N,1-dimethyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine?
N,1-dimethyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine has a molecular weight of 181.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine is sourced from PubChem (CID 166858736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).