2-amino-N'-[3-(aminomethyl)phenyl]ethanimidamide

C9H14N4 — CID 10788294

IUPAC2-amino-N'-[3-(aminomethyl)phenyl]ethanimidamide
SMILESNC/C(N)=N\c1cccc(CN)c1
InChIInChI=1S/C9H14N4/c10-5-7-2-1-3-8(4-7)13-9(12)6-11/h1-4H,5-6,10-11H2,(H2,12,13)
InChIKeyBWNWOGRCONOOAQ-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.09
Rot. Bonds3

About 2-amino-N'-[3-(aminomethyl)phenyl]ethanimidamide

2-amino-N'-[3-(aminomethyl)phenyl]ethanimidamide (PubChem CID 10788294) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-amino-N'-[3-(aminomethyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-amino-N'-[3-(aminomethyl)phenyl]ethanimidamide
PubChem CID10788294
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-amino-N'-[3-(aminomethyl)phenyl]ethanimidamide
SMILESNC/C(N)=N\c1cccc(CN)c1
InChIInChI=1S/C9H14N4/c10-5-7-2-1-3-8(4-7)13-9(12)6-11/h1-4H,5-6,10-11H2,(H2,12,13)
InChIKeyBWNWOGRCONOOAQ-UHFFFAOYSA-N
XLogP0.09
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-amino-N'-[3-(aminomethyl)phenyl]ethanimidamide?
The IUPAC name of 2-amino-N'-[3-(aminomethyl)phenyl]ethanimidamide (CID 10788294) is 2-amino-N'-[3-(aminomethyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-amino-N'-[3-(aminomethyl)phenyl]ethanimidamide?
The canonical SMILES for 2-amino-N'-[3-(aminomethyl)phenyl]ethanimidamide is NC/C(N)=N\c1cccc(CN)c1.
What is the InChIKey of 2-amino-N'-[3-(aminomethyl)phenyl]ethanimidamide?
The InChIKey is BWNWOGRCONOOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c10-5-7-2-1-3-8(4-7)13-9(12)6-11/h1-4H,5-6,10-11H2,(H2,12,13).
What are the key properties of 2-amino-N'-[3-(aminomethyl)phenyl]ethanimidamide?
2-amino-N'-[3-(aminomethyl)phenyl]ethanimidamide has a molecular weight of 178.24 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-[3-(aminomethyl)phenyl]ethanimidamide is sourced from PubChem (CID 10788294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).