(NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide

C6H9Br2N3 — CID 134515806

IUPAC(NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide
SMILESN/C(Br)=N\C(Br)=N\C1CCC1
InChIInChI=1S/C6H9Br2N3/c7-5(9)11-6(8)10-4-2-1-3-4/h4H,1-3H2,(H2,9,10,11)
InChIKeyQSNHSPUXSRPUIU-UHFFFAOYSA-N
MW282.97 g/mol
LogP2.00
Rot. Bonds1

About (NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide

(NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide (PubChem CID 134515806) has the molecular formula C6H9Br2N3 and a molecular weight of 282.97 g/mol. Its IUPAC name is (NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide.

Molecular Properties

Compound Name(NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide
PubChem CID134515806
Molecular FormulaC6H9Br2N3
Molecular Weight282.97 g/mol
Exact Mass280.92
IUPAC Name(NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide
SMILESN/C(Br)=N\C(Br)=N\C1CCC1
InChIInChI=1S/C6H9Br2N3/c7-5(9)11-6(8)10-4-2-1-3-4/h4H,1-3H2,(H2,9,10,11)
InChIKeyQSNHSPUXSRPUIU-UHFFFAOYSA-N
XLogP2.00
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.97
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N''-cyclobutylguanidine
CID 20383377
N'-cyclobutylmethanediimine
CID 147997587
N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide
CID 173758828
2-Cyclobutyl-1-(diaminomethylidene)guanidine
CID 83036977
n-Cyclobutylguanidine hydrochloride
CID 164664033

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide?
The IUPAC name of (NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide (CID 134515806) is (NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide.
What is the SMILES notation for (NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide?
The canonical SMILES for (NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide is N/C(Br)=N\C(Br)=N\C1CCC1.
What is the InChIKey of (NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide?
The InChIKey is QSNHSPUXSRPUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Br2N3/c7-5(9)11-6(8)10-4-2-1-3-4/h4H,1-3H2,(H2,9,10,11).
What are the key properties of (NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide?
(NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide has a molecular weight of 282.97 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide is sourced from PubChem (CID 134515806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).