(3-fluoro-3-methyl-1-propylcyclobutyl)methanamine

C9H18FN — CID 115012495

IUPAC(3-fluoro-3-methyl-1-propylcyclobutyl)methanamine
SMILESCCCC1(CN)CC(C)(F)C1
InChIInChI=1S/C9H18FN/c1-3-4-9(7-11)5-8(2,10)6-9/h3-7,11H2,1-2H3
InChIKeyRXVJXKKOAUUPHY-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.25
Rot. Bonds3

About (3-fluoro-3-methyl-1-propylcyclobutyl)methanamine

(3-fluoro-3-methyl-1-propylcyclobutyl)methanamine (PubChem CID 115012495) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (3-fluoro-3-methyl-1-propylcyclobutyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-3-methyl-1-propylcyclobutyl)methanamine
PubChem CID115012495
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(3-fluoro-3-methyl-1-propylcyclobutyl)methanamine
SMILESCCCC1(CN)CC(C)(F)C1
InChIInChI=1S/C9H18FN/c1-3-4-9(7-11)5-8(2,10)6-9/h3-7,11H2,1-2H3
InChIKeyRXVJXKKOAUUPHY-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-3-methyl-1-propylcyclobutyl)methanamine?
The IUPAC name of (3-fluoro-3-methyl-1-propylcyclobutyl)methanamine (CID 115012495) is (3-fluoro-3-methyl-1-propylcyclobutyl)methanamine.
What is the SMILES notation for (3-fluoro-3-methyl-1-propylcyclobutyl)methanamine?
The canonical SMILES for (3-fluoro-3-methyl-1-propylcyclobutyl)methanamine is CCCC1(CN)CC(C)(F)C1.
What is the InChIKey of (3-fluoro-3-methyl-1-propylcyclobutyl)methanamine?
The InChIKey is RXVJXKKOAUUPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-3-4-9(7-11)5-8(2,10)6-9/h3-7,11H2,1-2H3.
What are the key properties of (3-fluoro-3-methyl-1-propylcyclobutyl)methanamine?
(3-fluoro-3-methyl-1-propylcyclobutyl)methanamine has a molecular weight of 159.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-3-methyl-1-propylcyclobutyl)methanamine is sourced from PubChem (CID 115012495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).