4-fluoro-4-methylazepan-3-amine

C7H15FN2 — CID 155146032

IUPAC4-fluoro-4-methylazepan-3-amine
SMILESCC1(F)CCCNCC1N
InChIInChI=1S/C7H15FN2/c1-7(8)3-2-4-10-5-6(7)9/h6,10H,2-5,9H2,1H3
InChIKeyFYLXWEKYLFZCIF-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.43
Rot. Bonds

About 4-fluoro-4-methylazepan-3-amine

4-fluoro-4-methylazepan-3-amine (PubChem CID 155146032) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 4-fluoro-4-methylazepan-3-amine.

Molecular Properties

Compound Name4-fluoro-4-methylazepan-3-amine
PubChem CID155146032
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name4-fluoro-4-methylazepan-3-amine
SMILESCC1(F)CCCNCC1N
InChIInChI=1S/C7H15FN2/c1-7(8)3-2-4-10-5-6(7)9/h6,10H,2-5,9H2,1H3
InChIKeyFYLXWEKYLFZCIF-UHFFFAOYSA-N
XLogP0.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methylazepan-3-amine?
The IUPAC name of 4-fluoro-4-methylazepan-3-amine (CID 155146032) is 4-fluoro-4-methylazepan-3-amine.
What is the SMILES notation for 4-fluoro-4-methylazepan-3-amine?
The canonical SMILES for 4-fluoro-4-methylazepan-3-amine is CC1(F)CCCNCC1N.
What is the InChIKey of 4-fluoro-4-methylazepan-3-amine?
The InChIKey is FYLXWEKYLFZCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-7(8)3-2-4-10-5-6(7)9/h6,10H,2-5,9H2,1H3.
What are the key properties of 4-fluoro-4-methylazepan-3-amine?
4-fluoro-4-methylazepan-3-amine has a molecular weight of 146.21 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methylazepan-3-amine is sourced from PubChem (CID 155146032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).