imidazolidin-2-ylmethanimine

C4H9N3 — CID 123763610

IUPACimidazolidin-2-ylmethanimine
SMILES[H]/N=C/C1NCCN1
InChIInChI=1S/C4H9N3/c5-3-4-6-1-2-7-4/h3-7H,1-2H2/b5-3+
InChIKeyIJOACEHGMMODAL-HWKANZROSA-N
MW99.14 g/mol
LogP-0.85
Rot. Bonds1

About imidazolidin-2-ylmethanimine

imidazolidin-2-ylmethanimine (PubChem CID 123763610) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is imidazolidin-2-ylmethanimine.

Molecular Properties

Compound Nameimidazolidin-2-ylmethanimine
PubChem CID123763610
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Nameimidazolidin-2-ylmethanimine
SMILES[H]/N=C/C1NCCN1
InChIInChI=1S/C4H9N3/c5-3-4-6-1-2-7-4/h3-7H,1-2H2/b5-3+
InChIKeyIJOACEHGMMODAL-HWKANZROSA-N
XLogP-0.85
TPSA47.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 imidazolidin-2-ylmethanimine?
The IUPAC name of imidazolidin-2-ylmethanimine (CID 123763610) is imidazolidin-2-ylmethanimine.
What is the SMILES notation for imidazolidin-2-ylmethanimine?
The canonical SMILES for imidazolidin-2-ylmethanimine is [H]/N=C/C1NCCN1.
What is the InChIKey of imidazolidin-2-ylmethanimine?
The InChIKey is IJOACEHGMMODAL-HWKANZROSA-N. The full InChI is InChI=1S/C4H9N3/c5-3-4-6-1-2-7-4/h3-7H,1-2H2/b5-3+.
What are the key properties of imidazolidin-2-ylmethanimine?
imidazolidin-2-ylmethanimine has a molecular weight of 99.14 g/mol, XLogP of -0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidin-2-ylmethanimine is sourced from PubChem (CID 123763610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).