3-fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine

C10H20FNO — CID 155259230

IUPAC3-fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine
SMILESCOCC1CC(N)CC(F)C(C)C1
InChIInChI=1S/C10H20FNO/c1-7-3-8(6-13-2)4-9(12)5-10(7)11/h7-10H,3-6,12H2,1-2H3
InChIKeyXPXWNGZRBSDVQN-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.73
Rot. Bonds2

About 3-fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine

3-fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine (PubChem CID 155259230) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 3-fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound Name3-fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine
PubChem CID155259230
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name3-fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine
SMILESCOCC1CC(N)CC(F)C(C)C1
InChIInChI=1S/C10H20FNO/c1-7-3-8(6-13-2)4-9(12)5-10(7)11/h7-10H,3-6,12H2,1-2H3
InChIKeyXPXWNGZRBSDVQN-UHFFFAOYSA-N
XLogP1.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine?
The IUPAC name of 3-fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine (CID 155259230) is 3-fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for 3-fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for 3-fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine is COCC1CC(N)CC(F)C(C)C1.
What is the InChIKey of 3-fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine?
The InChIKey is XPXWNGZRBSDVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-7-3-8(6-13-2)4-9(12)5-10(7)11/h7-10H,3-6,12H2,1-2H3.
What are the key properties of 3-fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine?
3-fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine has a molecular weight of 189.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 155259230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).