6-fluoro-6-methylazepin-3-amine

C7H9FN2 — CID 178157545

IUPAC6-fluoro-6-methylazepin-3-amine
SMILESCC1(F)C=CC(N)=CN=C1
InChIInChI=1S/C7H9FN2/c1-7(8)3-2-6(9)4-10-5-7/h2-5H,9H2,1H3
InChIKeyQTVSXKWKEVHZEM-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.16
Rot. Bonds

About 6-fluoro-6-methylazepin-3-amine

6-fluoro-6-methylazepin-3-amine (PubChem CID 178157545) has the molecular formula C7H9FN2 and a molecular weight of 140.16 g/mol. Its IUPAC name is 6-fluoro-6-methylazepin-3-amine.

Molecular Properties

Compound Name6-fluoro-6-methylazepin-3-amine
PubChem CID178157545
Molecular FormulaC7H9FN2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name6-fluoro-6-methylazepin-3-amine
SMILESCC1(F)C=CC(N)=CN=C1
InChIInChI=1S/C7H9FN2/c1-7(8)3-2-6(9)4-10-5-7/h2-5H,9H2,1H3
InChIKeyQTVSXKWKEVHZEM-UHFFFAOYSA-N
XLogP1.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-methylazepin-3-amine?
The IUPAC name of 6-fluoro-6-methylazepin-3-amine (CID 178157545) is 6-fluoro-6-methylazepin-3-amine.
What is the SMILES notation for 6-fluoro-6-methylazepin-3-amine?
The canonical SMILES for 6-fluoro-6-methylazepin-3-amine is CC1(F)C=CC(N)=CN=C1.
What is the InChIKey of 6-fluoro-6-methylazepin-3-amine?
The InChIKey is QTVSXKWKEVHZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2/c1-7(8)3-2-6(9)4-10-5-7/h2-5H,9H2,1H3.
What are the key properties of 6-fluoro-6-methylazepin-3-amine?
6-fluoro-6-methylazepin-3-amine has a molecular weight of 140.16 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-methylazepin-3-amine is sourced from PubChem (CID 178157545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).