1-cyclobutyl-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine

C13H25F2NO — CID 103149937

IUPAC1-cyclobutyl-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
SMILESCCCNC(CCOCC(F)F)CC1CCC1
InChIInChI=1S/C13H25F2NO/c1-2-7-16-12(9-11-4-3-5-11)6-8-17-10-13(14)15/h11-13,16H,2-10H2,1H3
InChIKeyNTUZKNPWFGFWLI-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.22
Rot. Bonds10

About 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine

1-cyclobutyl-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine (PubChem CID 103149937) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
PubChem CID103149937
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name1-cyclobutyl-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
SMILESCCCNC(CCOCC(F)F)CC1CCC1
InChIInChI=1S/C13H25F2NO/c1-2-7-16-12(9-11-4-3-5-11)6-8-17-10-13(14)15/h11-13,16H,2-10H2,1H3
InChIKeyNTUZKNPWFGFWLI-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine?
The IUPAC name of 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine (CID 103149937) is 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine.
What is the SMILES notation for 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine?
The canonical SMILES for 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine is CCCNC(CCOCC(F)F)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine?
The InChIKey is NTUZKNPWFGFWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-2-7-16-12(9-11-4-3-5-11)6-8-17-10-13(14)15/h11-13,16H,2-10H2,1H3.
What are the key properties of 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine?
1-cyclobutyl-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine has a molecular weight of 249.34 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine is sourced from PubChem (CID 103149937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).