N-methyl-1,3-dihydroperimidin-2-imine;hydrochloride

C12H12ClN3 — CID 137007043

IUPACN-methyl-1,3-dihydroperimidin-2-imine;hydrochloride
SMILESCN=C1Nc2cccc3cccc(c23)N1.Cl
InChIInChI=1S/C12H11N3.ClH/c1-13-12-14-9-6-2-4-8-5-3-7-10(15-12)11(8)9;/h2-7H,1H3,(H2,13,14,15);1H
InChIKeyVSGJDDABEPCUDB-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.08
Rot. Bonds

About N-methyl-1,3-dihydroperimidin-2-imine;hydrochloride

N-methyl-1,3-dihydroperimidin-2-imine;hydrochloride (PubChem CID 137007043) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is N-methyl-1,3-dihydroperimidin-2-imine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1,3-dihydroperimidin-2-imine;hydrochloride
PubChem CID137007043
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC NameN-methyl-1,3-dihydroperimidin-2-imine;hydrochloride
SMILESCN=C1Nc2cccc3cccc(c23)N1.Cl
InChIInChI=1S/C12H11N3.ClH/c1-13-12-14-9-6-2-4-8-5-3-7-10(15-12)11(8)9;/h2-7H,1H3,(H2,13,14,15);1H
InChIKeyVSGJDDABEPCUDB-UHFFFAOYSA-N
XLogP3.08
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.08
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-methyl-1,3-dihydroperimidin-2-imine;hydrochloride?
The IUPAC name of N-methyl-1,3-dihydroperimidin-2-imine;hydrochloride (CID 137007043) is N-methyl-1,3-dihydroperimidin-2-imine;hydrochloride.
What is the SMILES notation for N-methyl-1,3-dihydroperimidin-2-imine;hydrochloride?
The canonical SMILES for N-methyl-1,3-dihydroperimidin-2-imine;hydrochloride is CN=C1Nc2cccc3cccc(c23)N1.Cl.
What is the InChIKey of N-methyl-1,3-dihydroperimidin-2-imine;hydrochloride?
The InChIKey is VSGJDDABEPCUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3.ClH/c1-13-12-14-9-6-2-4-8-5-3-7-10(15-12)11(8)9;/h2-7H,1H3,(H2,13,14,15);1H.
What are the key properties of N-methyl-1,3-dihydroperimidin-2-imine;hydrochloride?
N-methyl-1,3-dihydroperimidin-2-imine;hydrochloride has a molecular weight of 233.70 g/mol, XLogP of 3.08, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-dihydroperimidin-2-imine;hydrochloride is sourced from PubChem (CID 137007043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).