2-[4-(dimethylamino)phenyl]guanidine

C9H14N4 — CID 3028481

IUPAC2-[4-(dimethylamino)phenyl]guanidine
SMILESCN(C)c1ccc(N=C(N)N)cc1
InChIInChI=1S/C9H14N4/c1-13(2)8-5-3-7(4-6-8)12-9(10)11/h3-6H,1-2H3,(H4,10,11,12)
InChIKeyNAAHSJLHESEXLU-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.66
Rot. Bonds2

About 2-[4-(dimethylamino)phenyl]guanidine

2-[4-(dimethylamino)phenyl]guanidine (PubChem CID 3028481) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]guanidine.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]guanidine
PubChem CID3028481
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-[4-(dimethylamino)phenyl]guanidine
SMILESCN(C)c1ccc(N=C(N)N)cc1
InChIInChI=1S/C9H14N4/c1-13(2)8-5-3-7(4-6-8)12-9(10)11/h3-6H,1-2H3,(H4,10,11,12)
InChIKeyNAAHSJLHESEXLU-UHFFFAOYSA-N
XLogP0.66
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-[4-(dimethylamino)phenyl]guanidine?
The IUPAC name of 2-[4-(dimethylamino)phenyl]guanidine (CID 3028481) is 2-[4-(dimethylamino)phenyl]guanidine.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]guanidine?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]guanidine is CN(C)c1ccc(N=C(N)N)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]guanidine?
The InChIKey is NAAHSJLHESEXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-13(2)8-5-3-7(4-6-8)12-9(10)11/h3-6H,1-2H3,(H4,10,11,12).
What are the key properties of 2-[4-(dimethylamino)phenyl]guanidine?
2-[4-(dimethylamino)phenyl]guanidine has a molecular weight of 178.24 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]guanidine is sourced from PubChem (CID 3028481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).