3,3-difluoro-5-methylazepan-4-amine

C7H14F2N2 — CID 170771523

IUPAC3,3-difluoro-5-methylazepan-4-amine
SMILESCC1CCNCC(F)(F)C1N
InChIInChI=1S/C7H14F2N2/c1-5-2-3-11-4-7(8,9)6(5)10/h5-6,11H,2-4,10H2,1H3
InChIKeyHZXBNCLPQSOZJK-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.58
Rot. Bonds

About 3,3-difluoro-5-methylazepan-4-amine

3,3-difluoro-5-methylazepan-4-amine (PubChem CID 170771523) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3,3-difluoro-5-methylazepan-4-amine.

Molecular Properties

Compound Name3,3-difluoro-5-methylazepan-4-amine
PubChem CID170771523
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name3,3-difluoro-5-methylazepan-4-amine
SMILESCC1CCNCC(F)(F)C1N
InChIInChI=1S/C7H14F2N2/c1-5-2-3-11-4-7(8,9)6(5)10/h5-6,11H,2-4,10H2,1H3
InChIKeyHZXBNCLPQSOZJK-UHFFFAOYSA-N
XLogP0.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-methylazepan-4-amine?
The IUPAC name of 3,3-difluoro-5-methylazepan-4-amine (CID 170771523) is 3,3-difluoro-5-methylazepan-4-amine.
What is the SMILES notation for 3,3-difluoro-5-methylazepan-4-amine?
The canonical SMILES for 3,3-difluoro-5-methylazepan-4-amine is CC1CCNCC(F)(F)C1N.
What is the InChIKey of 3,3-difluoro-5-methylazepan-4-amine?
The InChIKey is HZXBNCLPQSOZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-5-2-3-11-4-7(8,9)6(5)10/h5-6,11H,2-4,10H2,1H3.
What are the key properties of 3,3-difluoro-5-methylazepan-4-amine?
3,3-difluoro-5-methylazepan-4-amine has a molecular weight of 164.20 g/mol, XLogP of 0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-methylazepan-4-amine is sourced from PubChem (CID 170771523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).