6-iodo-6-methylcyclohex-2-en-1-amine

C7H12IN — CID 126606263

IUPAC6-iodo-6-methylcyclohex-2-en-1-amine
SMILESCC1(I)CCC=CC1N
InChIInChI=1S/C7H12IN/c1-7(8)5-3-2-4-6(7)9/h2,4,6H,3,5,9H2,1H3
InChIKeyKGQDYPHRCGYLAW-UHFFFAOYSA-N
MW237.08 g/mol
LogP1.86
Rot. Bonds

About 6-iodo-6-methylcyclohex-2-en-1-amine

6-iodo-6-methylcyclohex-2-en-1-amine (PubChem CID 126606263) has the molecular formula C7H12IN and a molecular weight of 237.08 g/mol. Its IUPAC name is 6-iodo-6-methylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name6-iodo-6-methylcyclohex-2-en-1-amine
PubChem CID126606263
Molecular FormulaC7H12IN
Molecular Weight237.08 g/mol
Exact Mass237.00
IUPAC Name6-iodo-6-methylcyclohex-2-en-1-amine
SMILESCC1(I)CCC=CC1N
InChIInChI=1S/C7H12IN/c1-7(8)5-3-2-4-6(7)9/h2,4,6H,3,5,9H2,1H3
InChIKeyKGQDYPHRCGYLAW-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-6-methylcyclohex-2-en-1-amine?
The IUPAC name of 6-iodo-6-methylcyclohex-2-en-1-amine (CID 126606263) is 6-iodo-6-methylcyclohex-2-en-1-amine.
What is the SMILES notation for 6-iodo-6-methylcyclohex-2-en-1-amine?
The canonical SMILES for 6-iodo-6-methylcyclohex-2-en-1-amine is CC1(I)CCC=CC1N.
What is the InChIKey of 6-iodo-6-methylcyclohex-2-en-1-amine?
The InChIKey is KGQDYPHRCGYLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12IN/c1-7(8)5-3-2-4-6(7)9/h2,4,6H,3,5,9H2,1H3.
What are the key properties of 6-iodo-6-methylcyclohex-2-en-1-amine?
6-iodo-6-methylcyclohex-2-en-1-amine has a molecular weight of 237.08 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-6-methylcyclohex-2-en-1-amine is sourced from PubChem (CID 126606263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).