N-methylimidazolidin-2-imine

C4H9N3 — CID 135439927

IUPACN-methylimidazolidin-2-imine
SMILESCN=C1NCCN1
InChIInChI=1S/C4H9N3/c1-5-4-6-2-3-7-4/h2-3H2,1H3,(H2,5,6,7)
InChIKeyRBFIHIRGOXGJIG-UHFFFAOYSA-N
MW99.14 g/mol
LogP-0.83
Rot. Bonds

About N-methylimidazolidin-2-imine

N-methylimidazolidin-2-imine (PubChem CID 135439927) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is N-methylimidazolidin-2-imine.

Molecular Properties

Compound NameN-methylimidazolidin-2-imine
PubChem CID135439927
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC NameN-methylimidazolidin-2-imine
SMILESCN=C1NCCN1
InChIInChI=1S/C4H9N3/c1-5-4-6-2-3-7-4/h2-3H2,1H3,(H2,5,6,7)
InChIKeyRBFIHIRGOXGJIG-UHFFFAOYSA-N
XLogP-0.83
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylimidazolidin-2-imine?
The IUPAC name of N-methylimidazolidin-2-imine (CID 135439927) is N-methylimidazolidin-2-imine.
What is the SMILES notation for N-methylimidazolidin-2-imine?
The canonical SMILES for N-methylimidazolidin-2-imine is CN=C1NCCN1.
What is the InChIKey of N-methylimidazolidin-2-imine?
The InChIKey is RBFIHIRGOXGJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-5-4-6-2-3-7-4/h2-3H2,1H3,(H2,5,6,7).
What are the key properties of N-methylimidazolidin-2-imine?
N-methylimidazolidin-2-imine has a molecular weight of 99.14 g/mol, XLogP of -0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylimidazolidin-2-imine is sourced from PubChem (CID 135439927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).