(1-cycloheptyl-3-fluoro-3-methylcyclobutyl)methanamine

C13H24FN — CID 115028495

IUPAC(1-cycloheptyl-3-fluoro-3-methylcyclobutyl)methanamine
SMILESCC1(F)CC(CN)(C2CCCCCC2)C1
InChIInChI=1S/C13H24FN/c1-12(14)8-13(9-12,10-15)11-6-4-2-3-5-7-11/h11H,2-10,15H2,1H3
InChIKeyOQGYSWDUWWQZDD-UHFFFAOYSA-N
MW213.34 g/mol
LogP3.42
Rot. Bonds2

About (1-cycloheptyl-3-fluoro-3-methylcyclobutyl)methanamine

(1-cycloheptyl-3-fluoro-3-methylcyclobutyl)methanamine (PubChem CID 115028495) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is (1-cycloheptyl-3-fluoro-3-methylcyclobutyl)methanamine.

Molecular Properties

Compound Name(1-cycloheptyl-3-fluoro-3-methylcyclobutyl)methanamine
PubChem CID115028495
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name(1-cycloheptyl-3-fluoro-3-methylcyclobutyl)methanamine
SMILESCC1(F)CC(CN)(C2CCCCCC2)C1
InChIInChI=1S/C13H24FN/c1-12(14)8-13(9-12,10-15)11-6-4-2-3-5-7-11/h11H,2-10,15H2,1H3
InChIKeyOQGYSWDUWWQZDD-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-cycloheptyl-3-fluoro-3-methylcyclobutyl)methanamine?
The IUPAC name of (1-cycloheptyl-3-fluoro-3-methylcyclobutyl)methanamine (CID 115028495) is (1-cycloheptyl-3-fluoro-3-methylcyclobutyl)methanamine.
What is the SMILES notation for (1-cycloheptyl-3-fluoro-3-methylcyclobutyl)methanamine?
The canonical SMILES for (1-cycloheptyl-3-fluoro-3-methylcyclobutyl)methanamine is CC1(F)CC(CN)(C2CCCCCC2)C1.
What is the InChIKey of (1-cycloheptyl-3-fluoro-3-methylcyclobutyl)methanamine?
The InChIKey is OQGYSWDUWWQZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN/c1-12(14)8-13(9-12,10-15)11-6-4-2-3-5-7-11/h11H,2-10,15H2,1H3.
What are the key properties of (1-cycloheptyl-3-fluoro-3-methylcyclobutyl)methanamine?
(1-cycloheptyl-3-fluoro-3-methylcyclobutyl)methanamine has a molecular weight of 213.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cycloheptyl-3-fluoro-3-methylcyclobutyl)methanamine is sourced from PubChem (CID 115028495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).