2-(azepan-2-yl)-2-fluorobutan-1-amine

C10H21FN2 — CID 112566072

IUPAC2-(azepan-2-yl)-2-fluorobutan-1-amine
SMILESCCC(F)(CN)C1CCCCCN1
InChIInChI=1S/C10H21FN2/c1-2-10(11,8-12)9-6-4-3-5-7-13-9/h9,13H,2-8,12H2,1H3
InChIKeyKVMRKWYEQQTVEN-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.60
Rot. Bonds3

About 2-(azepan-2-yl)-2-fluorobutan-1-amine

2-(azepan-2-yl)-2-fluorobutan-1-amine (PubChem CID 112566072) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-(azepan-2-yl)-2-fluorobutan-1-amine.

Molecular Properties

Compound Name2-(azepan-2-yl)-2-fluorobutan-1-amine
PubChem CID112566072
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name2-(azepan-2-yl)-2-fluorobutan-1-amine
SMILESCCC(F)(CN)C1CCCCCN1
InChIInChI=1S/C10H21FN2/c1-2-10(11,8-12)9-6-4-3-5-7-13-9/h9,13H,2-8,12H2,1H3
InChIKeyKVMRKWYEQQTVEN-UHFFFAOYSA-N
XLogP1.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-2-yl)-2-fluorobutan-1-amine?
The IUPAC name of 2-(azepan-2-yl)-2-fluorobutan-1-amine (CID 112566072) is 2-(azepan-2-yl)-2-fluorobutan-1-amine.
What is the SMILES notation for 2-(azepan-2-yl)-2-fluorobutan-1-amine?
The canonical SMILES for 2-(azepan-2-yl)-2-fluorobutan-1-amine is CCC(F)(CN)C1CCCCCN1.
What is the InChIKey of 2-(azepan-2-yl)-2-fluorobutan-1-amine?
The InChIKey is KVMRKWYEQQTVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-2-10(11,8-12)9-6-4-3-5-7-13-9/h9,13H,2-8,12H2,1H3.
What are the key properties of 2-(azepan-2-yl)-2-fluorobutan-1-amine?
2-(azepan-2-yl)-2-fluorobutan-1-amine has a molecular weight of 188.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-2-yl)-2-fluorobutan-1-amine is sourced from PubChem (CID 112566072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).