2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride

C9H16Cl2N4 — CID 52944141

IUPAC2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride
SMILESCN(C)c1ccc(N=C(N)N)cc1.Cl.Cl
InChIInChI=1S/C9H14N4.2ClH/c1-13(2)8-5-3-7(4-6-8)12-9(10)11;;/h3-6H,1-2H3,(H4,10,11,12);2*1H
InChIKeyDDNWYCVICZQCJT-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.50
Rot. Bonds2

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

2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride (PubChem CID 52944141) has the molecular formula C9H16Cl2N4 and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride
PubChem CID52944141
Molecular FormulaC9H16Cl2N4
Molecular Weight251.16 g/mol
Exact Mass250.08
IUPAC Name2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride
SMILESCN(C)c1ccc(N=C(N)N)cc1.Cl.Cl
InChIInChI=1S/C9H14N4.2ClH/c1-13(2)8-5-3-7(4-6-8)12-9(10)11;;/h3-6H,1-2H3,(H4,10,11,12);2*1H
InChIKeyDDNWYCVICZQCJT-UHFFFAOYSA-N
XLogP1.50
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.50
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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Related Compounds

N'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide
CID 45261151
2-(4-methylphenyl)guanidine;hydrochloride
CID 3028500
2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
CID 15500431
azane;2-(4-methylphenyl)guanidine
CID 172751004
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132
2-[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]phenyl]diazenyl]phenyl]guanidine;hydrochloride
CID 173393569
bis(2-phenylguanidine);dihydrochloride
CID 160984545
3-(N'-phenylcarbamimidoyl)sulfanylpropyl N'-[4-(dimethylamino)phenyl]carbamimidothioate
CID 56836457
2-[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]phenyl]diazenyl]phenyl]guanidine
CID 56638568
2-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]guanidine
CID 9017548
2-[4-[4-(diaminomethylideneamino)benzoyl]phenyl]guanidine;dihydrochloride
CID 90664982
4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline
CID 90737220

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride?
The IUPAC name of 2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride (CID 52944141) is 2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride is CN(C)c1ccc(N=C(N)N)cc1.Cl.Cl.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride?
The InChIKey is DDNWYCVICZQCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4.2ClH/c1-13(2)8-5-3-7(4-6-8)12-9(10)11;;/h3-6H,1-2H3,(H4,10,11,12);2*1H.
What are the key properties of 2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride?
2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride has a molecular weight of 251.16 g/mol, XLogP of 1.50, 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;dihydrochloride is sourced from PubChem (CID 52944141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).