N'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride

C9H15Cl2N3 — CID 45261184

IUPACN'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride
SMILESC/C(N)=N\c1ccc(CN)cc1.Cl.Cl
InChIInChI=1S/C9H13N3.2ClH/c1-7(11)12-9-4-2-8(6-10)3-5-9;;/h2-5H,6,10H2,1H3,(H2,11,12);2*1H
InChIKeyDGXUEIOIVFJBFE-UHFFFAOYSA-N
MW236.15 g/mol
LogP2.00
Rot. Bonds2

About N'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride

N'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride (PubChem CID 45261184) has the molecular formula C9H15Cl2N3 and a molecular weight of 236.15 g/mol. Its IUPAC name is N'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride
PubChem CID45261184
Molecular FormulaC9H15Cl2N3
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC NameN'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride
SMILESC/C(N)=N\c1ccc(CN)cc1.Cl.Cl
InChIInChI=1S/C9H13N3.2ClH/c1-7(11)12-9-4-2-8(6-10)3-5-9;;/h2-5H,6,10H2,1H3,(H2,11,12);2*1H
InChIKeyDGXUEIOIVFJBFE-UHFFFAOYSA-N
XLogP2.00
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride?
The IUPAC name of N'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride (CID 45261184) is N'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride.
What is the SMILES notation for N'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride?
The canonical SMILES for N'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride is C/C(N)=N\c1ccc(CN)cc1.Cl.Cl.
What is the InChIKey of N'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride?
The InChIKey is DGXUEIOIVFJBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.2ClH/c1-7(11)12-9-4-2-8(6-10)3-5-9;;/h2-5H,6,10H2,1H3,(H2,11,12);2*1H.
What are the key properties of N'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride?
N'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride has a molecular weight of 236.15 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride is sourced from PubChem (CID 45261184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).