2-bromoheptanimidamide

C7H15BrN2 — CID 141210478

IUPAC2-bromoheptanimidamide
SMILES[H]/N=C(\N)C(Br)CCCCC
InChIInChI=1S/C7H15BrN2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5H2,1H3,(H3,9,10)
InChIKeyFLRMDEZBUIXUFE-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.27
Rot. Bonds5

About 2-bromoheptanimidamide

2-bromoheptanimidamide (PubChem CID 141210478) has the molecular formula C7H15BrN2 and a molecular weight of 207.11 g/mol. Its IUPAC name is 2-bromoheptanimidamide.

Molecular Properties

Compound Name2-bromoheptanimidamide
PubChem CID141210478
Molecular FormulaC7H15BrN2
Molecular Weight207.11 g/mol
Exact Mass206.04
IUPAC Name2-bromoheptanimidamide
SMILES[H]/N=C(\N)C(Br)CCCCC
InChIInChI=1S/C7H15BrN2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5H2,1H3,(H3,9,10)
InChIKeyFLRMDEZBUIXUFE-UHFFFAOYSA-N
XLogP2.27
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 52.27
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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Related Compounds

2-Bromovaleramidine
CID 12470649
7-Bromoheptanimidamide
CID 4116633
6-Bromohexanimidamide
CID 4347029
5-Bromopentanimidamide
CID 4624160
2-Bromohexanimidamide
CID 12470653
5,5-Dibromopentanimidamide
CID 57012710
2,2-Dibromohexanimidamide
CID 141071838
3,3-Dibromohexanimidamide
CID 174914064
Butanimidamide, 3-bromo-
CID 53417505

Frequently Asked Questions

What is the IUPAC name of 2-bromoheptanimidamide?
The IUPAC name of 2-bromoheptanimidamide (CID 141210478) is 2-bromoheptanimidamide.
What is the SMILES notation for 2-bromoheptanimidamide?
The canonical SMILES for 2-bromoheptanimidamide is [H]/N=C(\N)C(Br)CCCCC.
What is the InChIKey of 2-bromoheptanimidamide?
The InChIKey is FLRMDEZBUIXUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrN2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5H2,1H3,(H3,9,10).
What are the key properties of 2-bromoheptanimidamide?
2-bromoheptanimidamide has a molecular weight of 207.11 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoheptanimidamide is sourced from PubChem (CID 141210478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).