7-bromoheptanimidamide

C7H15BrN2 — CID 4116633

IUPAC7-bromoheptanimidamide
SMILES[H]/N=C(\N)CCCCCCBr
InChIInChI=1S/C7H15BrN2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H3,9,10)
InChIKeyPBKNYUGZWVZPCG-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.27
Rot. Bonds6

About 7-bromoheptanimidamide

7-bromoheptanimidamide (PubChem CID 4116633) has the molecular formula C7H15BrN2 and a molecular weight of 207.11 g/mol. Its IUPAC name is 7-bromoheptanimidamide.

Molecular Properties

Compound Name7-bromoheptanimidamide
PubChem CID4116633
Molecular FormulaC7H15BrN2
Molecular Weight207.11 g/mol
Exact Mass206.04
IUPAC Name7-bromoheptanimidamide
SMILES[H]/N=C(\N)CCCCCCBr
InChIInChI=1S/C7H15BrN2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H3,9,10)
InChIKeyPBKNYUGZWVZPCG-UHFFFAOYSA-N
XLogP2.27
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 7-bromoheptanimidamide?
The IUPAC name of 7-bromoheptanimidamide (CID 4116633) is 7-bromoheptanimidamide.
What is the SMILES notation for 7-bromoheptanimidamide?
The canonical SMILES for 7-bromoheptanimidamide is [H]/N=C(\N)CCCCCCBr.
What is the InChIKey of 7-bromoheptanimidamide?
The InChIKey is PBKNYUGZWVZPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrN2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H3,9,10).
What are the key properties of 7-bromoheptanimidamide?
7-bromoheptanimidamide has a molecular weight of 207.11 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromoheptanimidamide is sourced from PubChem (CID 4116633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).