N'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide

C10H17Br2N3 — CID 45261151

IUPACN'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide
SMILESBr.Br.C/C(N)=N\c1ccc(N(C)C)cc1
InChIInChI=1S/C10H15N3.2BrH/c1-8(11)12-9-4-6-10(7-5-9)13(2)3;;/h4-7H,1-3H3,(H2,11,12);2*1H
InChIKeyHCAARWFNNLKBRX-UHFFFAOYSA-N
MW339.08 g/mol
LogP2.92
Rot. Bonds2

About N'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide

N'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide (PubChem CID 45261151) has the molecular formula C10H17Br2N3 and a molecular weight of 339.08 g/mol. Its IUPAC name is N'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide.

Molecular Properties

Compound NameN'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide
PubChem CID45261151
Molecular FormulaC10H17Br2N3
Molecular Weight339.08 g/mol
Exact Mass336.98
IUPAC NameN'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide
SMILESBr.Br.C/C(N)=N\c1ccc(N(C)C)cc1
InChIInChI=1S/C10H15N3.2BrH/c1-8(11)12-9-4-6-10(7-5-9)13(2)3;;/h4-7H,1-3H3,(H2,11,12);2*1H
InChIKeyHCAARWFNNLKBRX-UHFFFAOYSA-N
XLogP2.92
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.08
LogP ≤ 52.92
H-Bond Donors ≤ 51
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

2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride
CID 52944141
2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
CID 15500431
4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline
CID 90737220
3-(N'-phenylcarbamimidoyl)sulfanylpropyl N'-[4-(dimethylamino)phenyl]carbamimidothioate
CID 56836457
2-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]guanidine
CID 9017548
1,2-bis(4-tert-butylphenyl)-1-methylguanidine;hydrobromide
CID 22675713
(NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine
CID 135538380
N'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride
CID 45261184
N,N-dimethyl-4-(1,1,1-trifluorobut-3-yn-2-ylideneamino)aniline
CID 166438280
4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 172971736
[amino-[4-(dimethylamino)phenyl]methylidene]azanium
CID 6346842
1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine
CID 10043892

Frequently Asked Questions

What is the IUPAC name of N'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide?
The IUPAC name of N'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide (CID 45261151) is N'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide.
What is the SMILES notation for N'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide?
The canonical SMILES for N'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide is Br.Br.C/C(N)=N\c1ccc(N(C)C)cc1.
What is the InChIKey of N'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide?
The InChIKey is HCAARWFNNLKBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.2BrH/c1-8(11)12-9-4-6-10(7-5-9)13(2)3;;/h4-7H,1-3H3,(H2,11,12);2*1H.
What are the key properties of N'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide?
N'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide has a molecular weight of 339.08 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide is sourced from PubChem (CID 45261151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).