ethane;2-fluoro-N-methyl-3H-azepin-6-amine

C9H15FN2 — CID 143124222

IUPACethane;2-fluoro-N-methyl-3H-azepin-6-amine
SMILESCC.CNC1=CN=C(F)CC=C1
InChIInChI=1S/C7H9FN2.C2H6/c1-9-6-3-2-4-7(8)10-5-6;1-2/h2-3,5,9H,4H2,1H3;1-2H3
InChIKeyIGNKIRINYXBQKE-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.40
Rot. Bonds1

About ethane;2-fluoro-N-methyl-3H-azepin-6-amine

ethane;2-fluoro-N-methyl-3H-azepin-6-amine (PubChem CID 143124222) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is ethane;2-fluoro-N-methyl-3H-azepin-6-amine.

Molecular Properties

Compound Nameethane;2-fluoro-N-methyl-3H-azepin-6-amine
PubChem CID143124222
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Nameethane;2-fluoro-N-methyl-3H-azepin-6-amine
SMILESCC.CNC1=CN=C(F)CC=C1
InChIInChI=1S/C7H9FN2.C2H6/c1-9-6-3-2-4-7(8)10-5-6;1-2/h2-3,5,9H,4H2,1H3;1-2H3
InChIKeyIGNKIRINYXBQKE-UHFFFAOYSA-N
XLogP2.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-N-methyl-3H-azepin-6-amine?
The IUPAC name of ethane;2-fluoro-N-methyl-3H-azepin-6-amine (CID 143124222) is ethane;2-fluoro-N-methyl-3H-azepin-6-amine.
What is the SMILES notation for ethane;2-fluoro-N-methyl-3H-azepin-6-amine?
The canonical SMILES for ethane;2-fluoro-N-methyl-3H-azepin-6-amine is CC.CNC1=CN=C(F)CC=C1.
What is the InChIKey of ethane;2-fluoro-N-methyl-3H-azepin-6-amine?
The InChIKey is IGNKIRINYXBQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2.C2H6/c1-9-6-3-2-4-7(8)10-5-6;1-2/h2-3,5,9H,4H2,1H3;1-2H3.
What are the key properties of ethane;2-fluoro-N-methyl-3H-azepin-6-amine?
ethane;2-fluoro-N-methyl-3H-azepin-6-amine has a molecular weight of 170.23 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-N-methyl-3H-azepin-6-amine is sourced from PubChem (CID 143124222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).