2-cycloheptyl-3-fluoro-2-methylpropan-1-amine

C11H22FN — CID 84719096

IUPAC2-cycloheptyl-3-fluoro-2-methylpropan-1-amine
SMILESCC(CN)(CF)C1CCCCCC1
InChIInChI=1S/C11H22FN/c1-11(8-12,9-13)10-6-4-2-3-5-7-10/h10H,2-9,13H2,1H3
InChIKeyXEDYBLGFHAIRSI-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.89
Rot. Bonds3

About 2-cycloheptyl-3-fluoro-2-methylpropan-1-amine

2-cycloheptyl-3-fluoro-2-methylpropan-1-amine (PubChem CID 84719096) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 2-cycloheptyl-3-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-cycloheptyl-3-fluoro-2-methylpropan-1-amine
PubChem CID84719096
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name2-cycloheptyl-3-fluoro-2-methylpropan-1-amine
SMILESCC(CN)(CF)C1CCCCCC1
InChIInChI=1S/C11H22FN/c1-11(8-12,9-13)10-6-4-2-3-5-7-10/h10H,2-9,13H2,1H3
InChIKeyXEDYBLGFHAIRSI-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-3-fluoro-2-methylpropan-1-amine?
The IUPAC name of 2-cycloheptyl-3-fluoro-2-methylpropan-1-amine (CID 84719096) is 2-cycloheptyl-3-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for 2-cycloheptyl-3-fluoro-2-methylpropan-1-amine?
The canonical SMILES for 2-cycloheptyl-3-fluoro-2-methylpropan-1-amine is CC(CN)(CF)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-3-fluoro-2-methylpropan-1-amine?
The InChIKey is XEDYBLGFHAIRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-11(8-12,9-13)10-6-4-2-3-5-7-10/h10H,2-9,13H2,1H3.
What are the key properties of 2-cycloheptyl-3-fluoro-2-methylpropan-1-amine?
2-cycloheptyl-3-fluoro-2-methylpropan-1-amine has a molecular weight of 187.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-3-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 84719096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).