5-bromopentanimidamide

C5H11BrN2 — CID 4624160

IUPAC5-bromopentanimidamide
SMILES[H]/N=C(/N)CCCCBr
InChIInChI=1S/C5H11BrN2/c6-4-2-1-3-5(7)8/h1-4H2,(H3,7,8)
InChIKeyNVSZRILZXPKLDQ-UHFFFAOYSA-N
MW179.06 g/mol
LogP1.49
Rot. Bonds4

About 5-bromopentanimidamide

5-bromopentanimidamide (PubChem CID 4624160) has the molecular formula C5H11BrN2 and a molecular weight of 179.06 g/mol. Its IUPAC name is 5-bromopentanimidamide.

Molecular Properties

Compound Name5-bromopentanimidamide
PubChem CID4624160
Molecular FormulaC5H11BrN2
Molecular Weight179.06 g/mol
Exact Mass178.01
IUPAC Name5-bromopentanimidamide
SMILES[H]/N=C(/N)CCCCBr
InChIInChI=1S/C5H11BrN2/c6-4-2-1-3-5(7)8/h1-4H2,(H3,7,8)
InChIKeyNVSZRILZXPKLDQ-UHFFFAOYSA-N
XLogP1.49
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromopentanimidamide?
The IUPAC name of 5-bromopentanimidamide (CID 4624160) is 5-bromopentanimidamide.
What is the SMILES notation for 5-bromopentanimidamide?
The canonical SMILES for 5-bromopentanimidamide is [H]/N=C(/N)CCCCBr.
What is the InChIKey of 5-bromopentanimidamide?
The InChIKey is NVSZRILZXPKLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BrN2/c6-4-2-1-3-5(7)8/h1-4H2,(H3,7,8).
What are the key properties of 5-bromopentanimidamide?
5-bromopentanimidamide has a molecular weight of 179.06 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopentanimidamide is sourced from PubChem (CID 4624160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).