7-fluoro-2,3,4,4,5-pentamethylazepan-3-amine

C11H23FN2 — CID 142051535

IUPAC7-fluoro-2,3,4,4,5-pentamethylazepan-3-amine
SMILESCC1CC(F)NC(C)C(C)(N)C1(C)C
InChIInChI=1S/C11H23FN2/c1-7-6-9(12)14-8(2)11(5,13)10(7,3)4/h7-9,14H,6,13H2,1-5H3
InChIKeyOQVGCMGDZCZMKL-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.04
Rot. Bonds

About 7-fluoro-2,3,4,4,5-pentamethylazepan-3-amine

7-fluoro-2,3,4,4,5-pentamethylazepan-3-amine (PubChem CID 142051535) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is 7-fluoro-2,3,4,4,5-pentamethylazepan-3-amine.

Molecular Properties

Compound Name7-fluoro-2,3,4,4,5-pentamethylazepan-3-amine
PubChem CID142051535
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name7-fluoro-2,3,4,4,5-pentamethylazepan-3-amine
SMILESCC1CC(F)NC(C)C(C)(N)C1(C)C
InChIInChI=1S/C11H23FN2/c1-7-6-9(12)14-8(2)11(5,13)10(7,3)4/h7-9,14H,6,13H2,1-5H3
InChIKeyOQVGCMGDZCZMKL-UHFFFAOYSA-N
XLogP2.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3,4,4,5-pentamethylazepan-3-amine?
The IUPAC name of 7-fluoro-2,3,4,4,5-pentamethylazepan-3-amine (CID 142051535) is 7-fluoro-2,3,4,4,5-pentamethylazepan-3-amine.
What is the SMILES notation for 7-fluoro-2,3,4,4,5-pentamethylazepan-3-amine?
The canonical SMILES for 7-fluoro-2,3,4,4,5-pentamethylazepan-3-amine is CC1CC(F)NC(C)C(C)(N)C1(C)C.
What is the InChIKey of 7-fluoro-2,3,4,4,5-pentamethylazepan-3-amine?
The InChIKey is OQVGCMGDZCZMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2/c1-7-6-9(12)14-8(2)11(5,13)10(7,3)4/h7-9,14H,6,13H2,1-5H3.
What are the key properties of 7-fluoro-2,3,4,4,5-pentamethylazepan-3-amine?
7-fluoro-2,3,4,4,5-pentamethylazepan-3-amine has a molecular weight of 202.32 g/mol, XLogP of 2.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3,4,4,5-pentamethylazepan-3-amine is sourced from PubChem (CID 142051535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).