N,1-dimethylimidazolidin-2-imine

C5H11N3 — CID 135830844

IUPACN,1-dimethylimidazolidin-2-imine
SMILESC/N=C1\NCCN1C
InChIInChI=1S/C5H11N3/c1-6-5-7-3-4-8(5)2/h3-4H2,1-2H3,(H,6,7)
InChIKeyJKZUKBFACGHMNC-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.49
Rot. Bonds

About N,1-dimethylimidazolidin-2-imine

N,1-dimethylimidazolidin-2-imine (PubChem CID 135830844) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N,1-dimethylimidazolidin-2-imine.

Molecular Properties

Compound NameN,1-dimethylimidazolidin-2-imine
PubChem CID135830844
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN,1-dimethylimidazolidin-2-imine
SMILESC/N=C1\NCCN1C
InChIInChI=1S/C5H11N3/c1-6-5-7-3-4-8(5)2/h3-4H2,1-2H3,(H,6,7)
InChIKeyJKZUKBFACGHMNC-UHFFFAOYSA-N
XLogP-0.49
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
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,1-dimethylimidazolidin-2-imine?
The IUPAC name of N,1-dimethylimidazolidin-2-imine (CID 135830844) is N,1-dimethylimidazolidin-2-imine.
What is the SMILES notation for N,1-dimethylimidazolidin-2-imine?
The canonical SMILES for N,1-dimethylimidazolidin-2-imine is C/N=C1\NCCN1C.
What is the InChIKey of N,1-dimethylimidazolidin-2-imine?
The InChIKey is JKZUKBFACGHMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-6-5-7-3-4-8(5)2/h3-4H2,1-2H3,(H,6,7).
What are the key properties of N,1-dimethylimidazolidin-2-imine?
N,1-dimethylimidazolidin-2-imine has a molecular weight of 113.16 g/mol, XLogP of -0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylimidazolidin-2-imine is sourced from PubChem (CID 135830844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).