6-fluoro-N-methyl-3H-azepin-4-amine

C7H9FN2 — CID 143989565

IUPAC6-fluoro-N-methyl-3H-azepin-4-amine
SMILESCNC1=CC(F)=CN=CC1
InChIInChI=1S/C7H9FN2/c1-9-7-2-3-10-5-6(8)4-7/h3-5,9H,2H2,1H3
InChIKeyAAFKLEGAXGOYMS-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.38
Rot. Bonds1

About 6-fluoro-N-methyl-3H-azepin-4-amine

6-fluoro-N-methyl-3H-azepin-4-amine (PubChem CID 143989565) has the molecular formula C7H9FN2 and a molecular weight of 140.16 g/mol. Its IUPAC name is 6-fluoro-N-methyl-3H-azepin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-3H-azepin-4-amine
PubChem CID143989565
Molecular FormulaC7H9FN2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name6-fluoro-N-methyl-3H-azepin-4-amine
SMILESCNC1=CC(F)=CN=CC1
InChIInChI=1S/C7H9FN2/c1-9-7-2-3-10-5-6(8)4-7/h3-5,9H,2H2,1H3
InChIKeyAAFKLEGAXGOYMS-UHFFFAOYSA-N
XLogP1.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-methyl-3H-azepin-6-amine
CID 143124223
N-propyl-3H-azepin-5-amine
CID 129019211
N-methyl-3H-azepin-6-amine
CID 142969700
N-methyl-4H-azepin-3-amine
CID 142969725
ethane;2-fluoro-N-methyl-3H-azepin-6-amine
CID 143124222
(1E,4R,5Z)-1-(7-methyl-6,7-dihydro-1H-1,4-diazepin-3-yl)hepta-1,5-dien-4-amine
CID 164069879
CID 173964142
CID 173964142

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-3H-azepin-4-amine?
The IUPAC name of 6-fluoro-N-methyl-3H-azepin-4-amine (CID 143989565) is 6-fluoro-N-methyl-3H-azepin-4-amine.
What is the SMILES notation for 6-fluoro-N-methyl-3H-azepin-4-amine?
The canonical SMILES for 6-fluoro-N-methyl-3H-azepin-4-amine is CNC1=CC(F)=CN=CC1.
What is the InChIKey of 6-fluoro-N-methyl-3H-azepin-4-amine?
The InChIKey is AAFKLEGAXGOYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2/c1-9-7-2-3-10-5-6(8)4-7/h3-5,9H,2H2,1H3.
What are the key properties of 6-fluoro-N-methyl-3H-azepin-4-amine?
6-fluoro-N-methyl-3H-azepin-4-amine has a molecular weight of 140.16 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-3H-azepin-4-amine is sourced from PubChem (CID 143989565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).