(3R,4S)-4-fluoro-4-methylazepan-3-amine

C7H15FN2 — CID 155145527

IUPAC(3R,4S)-4-fluoro-4-methylazepan-3-amine
SMILESC[C@]1(F)CCCNC[C@H]1N
InChIInChI=1S/C7H15FN2/c1-7(8)3-2-4-10-5-6(7)9/h6,10H,2-5,9H2,1H3/t6-,7+/m1/s1
InChIKeyFYLXWEKYLFZCIF-RQJHMYQMSA-N
MW146.21 g/mol
LogP0.43
Rot. Bonds

About (3R,4S)-4-fluoro-4-methylazepan-3-amine

(3R,4S)-4-fluoro-4-methylazepan-3-amine (PubChem CID 155145527) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is (3R,4S)-4-fluoro-4-methylazepan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-fluoro-4-methylazepan-3-amine
PubChem CID155145527
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name(3R,4S)-4-fluoro-4-methylazepan-3-amine
SMILESC[C@]1(F)CCCNC[C@H]1N
InChIInChI=1S/C7H15FN2/c1-7(8)3-2-4-10-5-6(7)9/h6,10H,2-5,9H2,1H3/t6-,7+/m1/s1
InChIKeyFYLXWEKYLFZCIF-RQJHMYQMSA-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 (3R,4S)-4-fluoro-4-methylazepan-3-amine?
The IUPAC name of (3R,4S)-4-fluoro-4-methylazepan-3-amine (CID 155145527) is (3R,4S)-4-fluoro-4-methylazepan-3-amine.
What is the SMILES notation for (3R,4S)-4-fluoro-4-methylazepan-3-amine?
The canonical SMILES for (3R,4S)-4-fluoro-4-methylazepan-3-amine is C[C@]1(F)CCCNC[C@H]1N.
What is the InChIKey of (3R,4S)-4-fluoro-4-methylazepan-3-amine?
The InChIKey is FYLXWEKYLFZCIF-RQJHMYQMSA-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/t6-,7+/m1/s1.
What are the key properties of (3R,4S)-4-fluoro-4-methylazepan-3-amine?
(3R,4S)-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 (3R,4S)-4-fluoro-4-methylazepan-3-amine is sourced from PubChem (CID 155145527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).