N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine

C14H21FN2O — CID 116812956

IUPACN-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine
SMILESCCOC1CC(Nc2cccc(F)n2)C1(C)CC
InChIInChI=1S/C14H21FN2O/c1-4-14(3)10(9-11(14)18-5-2)16-13-8-6-7-12(15)17-13/h6-8,10-11H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyCMMGRRGMIBZBOT-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.23
Rot. Bonds5

About N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine

N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine (PubChem CID 116812956) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine
PubChem CID116812956
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine
SMILESCCOC1CC(Nc2cccc(F)n2)C1(C)CC
InChIInChI=1S/C14H21FN2O/c1-4-14(3)10(9-11(14)18-5-2)16-13-8-6-7-12(15)17-13/h6-8,10-11H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyCMMGRRGMIBZBOT-UHFFFAOYSA-N
XLogP3.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine?
The IUPAC name of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine (CID 116812956) is N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine.
What is the SMILES notation for N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine?
The canonical SMILES for N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine is CCOC1CC(Nc2cccc(F)n2)C1(C)CC.
What is the InChIKey of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine?
The InChIKey is CMMGRRGMIBZBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-14(3)10(9-11(14)18-5-2)16-13-8-6-7-12(15)17-13/h6-8,10-11H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine?
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine has a molecular weight of 252.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine is sourced from PubChem (CID 116812956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).