5-fluoro-2-imino-6-methylcyclohex-3-en-1-amine

C7H11FN2 — CID 91117964

IUPAC5-fluoro-2-imino-6-methylcyclohex-3-en-1-amine
SMILES[H]/N=C1\C=CC(F)C(C)C1N
InChIInChI=1S/C7H11FN2/c1-4-5(8)2-3-6(9)7(4)10/h2-5,7,9H,10H2,1H3/b9-6+
InChIKeySEDNVNRHZKOGQZ-RMKNXTFCSA-N
MW142.18 g/mol
LogP0.88
Rot. Bonds

About 5-fluoro-2-imino-6-methylcyclohex-3-en-1-amine

5-fluoro-2-imino-6-methylcyclohex-3-en-1-amine (PubChem CID 91117964) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 5-fluoro-2-imino-6-methylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name5-fluoro-2-imino-6-methylcyclohex-3-en-1-amine
PubChem CID91117964
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name5-fluoro-2-imino-6-methylcyclohex-3-en-1-amine
SMILES[H]/N=C1\C=CC(F)C(C)C1N
InChIInChI=1S/C7H11FN2/c1-4-5(8)2-3-6(9)7(4)10/h2-5,7,9H,10H2,1H3/b9-6+
InChIKeySEDNVNRHZKOGQZ-RMKNXTFCSA-N
XLogP0.88
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-9-fluoro-4-imino-9,10,10-trimethylundec-5-en-3-amine
CID 123996535
(4E,6E,8E)-6-ethanimidoyl-4-fluoro-11-methyl-3-propyldodeca-4,6,8,10-tetraen-2-amine
CID 167083150
4-Imino-5,6-dimethylcyclohex-2-en-1-amine
CID 123143860
1-(5-Imino-6-methylcyclohex-3-en-1-yl)ethanamine
CID 123217836
(4-Iminocyclohex-2-en-1-yl)methanediamine
CID 123494371
4-Imino-2,5-dimethylcyclohex-2-en-1-amine
CID 123524045
(4-Methyliminocyclohex-2-en-1-yl)methanamine
CID 123703590
1-Cyclobut-2-en-1-yl-1-iminopropan-2-amine
CID 130412839

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-imino-6-methylcyclohex-3-en-1-amine?
The IUPAC name of 5-fluoro-2-imino-6-methylcyclohex-3-en-1-amine (CID 91117964) is 5-fluoro-2-imino-6-methylcyclohex-3-en-1-amine.
What is the SMILES notation for 5-fluoro-2-imino-6-methylcyclohex-3-en-1-amine?
The canonical SMILES for 5-fluoro-2-imino-6-methylcyclohex-3-en-1-amine is [H]/N=C1\C=CC(F)C(C)C1N.
What is the InChIKey of 5-fluoro-2-imino-6-methylcyclohex-3-en-1-amine?
The InChIKey is SEDNVNRHZKOGQZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H11FN2/c1-4-5(8)2-3-6(9)7(4)10/h2-5,7,9H,10H2,1H3/b9-6+.
What are the key properties of 5-fluoro-2-imino-6-methylcyclohex-3-en-1-amine?
5-fluoro-2-imino-6-methylcyclohex-3-en-1-amine has a molecular weight of 142.18 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-imino-6-methylcyclohex-3-en-1-amine is sourced from PubChem (CID 91117964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).