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

C5H10BrN3 — CID 76736186

IUPAC3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine
SMILESCC(N)N=CC(Br)=CN
InChIInChI=1S/C5H10BrN3/c1-4(8)9-3-5(6)2-7/h2-4H,7-8H2,1H3
InChIKeyVOKNWXVPKNFVMJ-UHFFFAOYSA-N
MW192.06 g/mol
LogP0.56
Rot. Bonds2

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

3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine (PubChem CID 76736186) has the molecular formula C5H10BrN3 and a molecular weight of 192.06 g/mol. Its IUPAC name is 3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine.

Molecular Properties

Compound Name3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine
PubChem CID76736186
Molecular FormulaC5H10BrN3
Molecular Weight192.06 g/mol
Exact Mass191.01
IUPAC Name3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine
SMILESCC(N)N=CC(Br)=CN
InChIInChI=1S/C5H10BrN3/c1-4(8)9-3-5(6)2-7/h2-4H,7-8H2,1H3
InChIKeyVOKNWXVPKNFVMJ-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine?
The IUPAC name of 3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine (CID 76736186) is 3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine.
What is the SMILES notation for 3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine?
The canonical SMILES for 3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine is CC(N)N=CC(Br)=CN.
What is the InChIKey of 3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine?
The InChIKey is VOKNWXVPKNFVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrN3/c1-4(8)9-3-5(6)2-7/h2-4H,7-8H2,1H3.
What are the key properties of 3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine?
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 3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine is sourced from PubChem (CID 76736186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).