(E,3E)-3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine

C5H10BrN3 — CID 58368886

IUPAC(E,3E)-3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine
SMILESCC(N)/N=C/C(Br)=C\N
InChIInChI=1S/C5H10BrN3/c1-4(8)9-3-5(6)2-7/h2-4H,7-8H2,1H3/b5-2+,9-3+
InChIKeyVOKNWXVPKNFVMJ-SKRMJIETSA-N
MW192.06 g/mol
LogP0.56
Rot. Bonds2

About (E,3E)-3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine

(E,3E)-3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine (PubChem CID 58368886) has the molecular formula C5H10BrN3 and a molecular weight of 192.06 g/mol. Its IUPAC name is (E,3E)-3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine.

Molecular Properties

Compound Name(E,3E)-3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine
PubChem CID58368886
Molecular FormulaC5H10BrN3
Molecular Weight192.06 g/mol
Exact Mass191.01
IUPAC Name(E,3E)-3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine
SMILESCC(N)/N=C/C(Br)=C\N
InChIInChI=1S/C5H10BrN3/c1-4(8)9-3-5(6)2-7/h2-4H,7-8H2,1H3/b5-2+,9-3+
InChIKeyVOKNWXVPKNFVMJ-SKRMJIETSA-N
XLogP0.56
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,3E)-3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-Aminoethylimino)-2-bromoprop-1-en-1-amine
CID 76736186
(E)-2-bromo-3-methyliminoprop-1-en-1-amine
CID 88260851
(E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine
CID 89209949
5-bromo-1-methyl-2H-pyrimidin-2-amine
CID 143899634
1-[(Z)-[(E)-2-bromo-3-(methylideneamino)prop-2-enylidene]amino]-N-methylmethanamine
CID 143975408
(E)-2-bromo-N-methyl-3-methyliminoprop-1-en-1-amine
CID 144501913
(E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine
CID 144521368
(2-Bromo-3-iminoprop-1-enyl)-methylazanium
CID 148391522
2-Bromo-3-methyliminoprop-1-en-1-amine
CID 148391523
2-Bromo-3-tert-butyliminoprop-1-en-1-amine
CID 148471071
2-Bromo-3-ethyliminoprop-1-en-1-amine
CID 152964035
(Z)-1-[(Z)-2-bromoprop-2-enylideneamino]prop-1-en-1-amine
CID 155711587

Frequently Asked Questions

What is the IUPAC name of (E,3E)-3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine?
The IUPAC name of (E,3E)-3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine (CID 58368886) is (E,3E)-3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine.
What is the SMILES notation for (E,3E)-3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine?
The canonical SMILES for (E,3E)-3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine is CC(N)/N=C/C(Br)=C\N.
What is the InChIKey of (E,3E)-3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine?
The InChIKey is VOKNWXVPKNFVMJ-SKRMJIETSA-N. The full InChI is InChI=1S/C5H10BrN3/c1-4(8)9-3-5(6)2-7/h2-4H,7-8H2,1H3/b5-2+,9-3+.
What are the key properties of (E,3E)-3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine?
(E,3E)-3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine has a molecular weight of 192.06 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3E)-3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine is sourced from PubChem (CID 58368886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).