(E)-3-amino-N-(1-aminoethenyl)-2-bromoprop-2-enimidoyl cyanide

C6H7BrN4 — CID 173022753

IUPAC(E)-3-amino-N-(1-aminoethenyl)-2-bromoprop-2-enimidoyl cyanide
SMILESC=C(N)N=C(C#N)/C(Br)=C\N
InChIInChI=1S/C6H7BrN4/c1-4(10)11-6(3-9)5(7)2-8/h2H,1,8,10H2/b5-2+,11-6?
InChIKeyKDRMOXSUPPABII-FXIHRIJFSA-N
MW215.05 g/mol
LogP0.58
Rot. Bonds2

About (E)-3-amino-N-(1-aminoethenyl)-2-bromoprop-2-enimidoyl cyanide

(E)-3-amino-N-(1-aminoethenyl)-2-bromoprop-2-enimidoyl cyanide (PubChem CID 173022753) has the molecular formula C6H7BrN4 and a molecular weight of 215.05 g/mol. Its IUPAC name is (E)-3-amino-N-(1-aminoethenyl)-2-bromoprop-2-enimidoyl cyanide.

Molecular Properties

Compound Name(E)-3-amino-N-(1-aminoethenyl)-2-bromoprop-2-enimidoyl cyanide
PubChem CID173022753
Molecular FormulaC6H7BrN4
Molecular Weight215.05 g/mol
Exact Mass213.99
IUPAC Name(E)-3-amino-N-(1-aminoethenyl)-2-bromoprop-2-enimidoyl cyanide
SMILESC=C(N)N=C(C#N)/C(Br)=C\N
InChIInChI=1S/C6H7BrN4/c1-4(10)11-6(3-9)5(7)2-8/h2H,1,8,10H2/b5-2+,11-6?
InChIKeyKDRMOXSUPPABII-FXIHRIJFSA-N
XLogP0.58
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-bromoethenylsulfanyl)prop-2-enylidene]propanedinitrile
CID 144686573
(Z)-N'-[(E)-2-amino-2-bromo-1-cyanoethenyl]but-2-enimidamide
CID 166992371
(Z)-3-amino-N-(1-aminoethenyl)prop-2-enimidoyl chloride
CID 173022754
(2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide
CID 153364034
(E)-3-amino-2-[N-(1-aminoethenyl)-C-(4-chloro-3-methoxyphenyl)carbonimidoyl]prop-2-enenitrile
CID 173495797
2-bromo-3-methyliminobut-1-en-1-amine
CID 173494002
3-amino-2-cyanoprop-2-enethioamide
CID 88527340
1-aminoethenylcyanamide
CID 131531225
1-cyano-N'-fluoromethanimidamide
CID 23233998
2-amino-2-oxo-N-prop-2-ynoxyethanimidoyl cyanide
CID 71440030
(Z)-4-(1-aminoethenylimino)pent-2-en-2-amine
CID 173482086
(2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile
CID 142139467

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-N-(1-aminoethenyl)-2-bromoprop-2-enimidoyl cyanide?
The IUPAC name of (E)-3-amino-N-(1-aminoethenyl)-2-bromoprop-2-enimidoyl cyanide (CID 173022753) is (E)-3-amino-N-(1-aminoethenyl)-2-bromoprop-2-enimidoyl cyanide.
What is the SMILES notation for (E)-3-amino-N-(1-aminoethenyl)-2-bromoprop-2-enimidoyl cyanide?
The canonical SMILES for (E)-3-amino-N-(1-aminoethenyl)-2-bromoprop-2-enimidoyl cyanide is C=C(N)N=C(C#N)/C(Br)=C\N.
What is the InChIKey of (E)-3-amino-N-(1-aminoethenyl)-2-bromoprop-2-enimidoyl cyanide?
The InChIKey is KDRMOXSUPPABII-FXIHRIJFSA-N. The full InChI is InChI=1S/C6H7BrN4/c1-4(10)11-6(3-9)5(7)2-8/h2H,1,8,10H2/b5-2+,11-6?.
What are the key properties of (E)-3-amino-N-(1-aminoethenyl)-2-bromoprop-2-enimidoyl cyanide?
(E)-3-amino-N-(1-aminoethenyl)-2-bromoprop-2-enimidoyl cyanide has a molecular weight of 215.05 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-N-(1-aminoethenyl)-2-bromoprop-2-enimidoyl cyanide is sourced from PubChem (CID 173022753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).