4-iodo-2-methyl-2H-azepin-7-amine

C7H9IN2 — CID 129135677

IUPAC4-iodo-2-methyl-2H-azepin-7-amine
SMILESCC1C=C(I)C=CC(N)=N1
InChIInChI=1S/C7H9IN2/c1-5-4-6(8)2-3-7(9)10-5/h2-5H,1H3,(H2,9,10)
InChIKeyLUVSSXYDNUGTSY-UHFFFAOYSA-N
MW248.07 g/mol
LogP1.62
Rot. Bonds

About 4-iodo-2-methyl-2H-azepin-7-amine

4-iodo-2-methyl-2H-azepin-7-amine (PubChem CID 129135677) has the molecular formula C7H9IN2 and a molecular weight of 248.07 g/mol. Its IUPAC name is 4-iodo-2-methyl-2H-azepin-7-amine.

Molecular Properties

Compound Name4-iodo-2-methyl-2H-azepin-7-amine
PubChem CID129135677
Molecular FormulaC7H9IN2
Molecular Weight248.07 g/mol
Exact Mass247.98
IUPAC Name4-iodo-2-methyl-2H-azepin-7-amine
SMILESCC1C=C(I)C=CC(N)=N1
InChIInChI=1S/C7H9IN2/c1-5-4-6(8)2-3-7(9)10-5/h2-5H,1H3,(H2,9,10)
InChIKeyLUVSSXYDNUGTSY-UHFFFAOYSA-N
XLogP1.62
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methyl-2H-azepin-7-amine?
The IUPAC name of 4-iodo-2-methyl-2H-azepin-7-amine (CID 129135677) is 4-iodo-2-methyl-2H-azepin-7-amine.
What is the SMILES notation for 4-iodo-2-methyl-2H-azepin-7-amine?
The canonical SMILES for 4-iodo-2-methyl-2H-azepin-7-amine is CC1C=C(I)C=CC(N)=N1.
What is the InChIKey of 4-iodo-2-methyl-2H-azepin-7-amine?
The InChIKey is LUVSSXYDNUGTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2/c1-5-4-6(8)2-3-7(9)10-5/h2-5H,1H3,(H2,9,10).
What are the key properties of 4-iodo-2-methyl-2H-azepin-7-amine?
4-iodo-2-methyl-2H-azepin-7-amine has a molecular weight of 248.07 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methyl-2H-azepin-7-amine is sourced from PubChem (CID 129135677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).