N-ethyl-2-(1-ethylcyclobutyl)-N-fluoroethanamine

C10H20FN — CID 167122164

IUPACN-ethyl-2-(1-ethylcyclobutyl)-N-fluoroethanamine
SMILESCCN(F)CCC1(CC)CCC1
InChIInChI=1S/C10H20FN/c1-3-10(6-5-7-10)8-9-12(11)4-2/h3-9H2,1-2H3
InChIKeyICSKDNREPNXSSN-UHFFFAOYSA-N
MW173.27 g/mol
LogP3.16
Rot. Bonds5

About N-ethyl-2-(1-ethylcyclobutyl)-N-fluoroethanamine

N-ethyl-2-(1-ethylcyclobutyl)-N-fluoroethanamine (PubChem CID 167122164) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is N-ethyl-2-(1-ethylcyclobutyl)-N-fluoroethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-ethylcyclobutyl)-N-fluoroethanamine
PubChem CID167122164
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC NameN-ethyl-2-(1-ethylcyclobutyl)-N-fluoroethanamine
SMILESCCN(F)CCC1(CC)CCC1
InChIInChI=1S/C10H20FN/c1-3-10(6-5-7-10)8-9-12(11)4-2/h3-9H2,1-2H3
InChIKeyICSKDNREPNXSSN-UHFFFAOYSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-ethylcyclobutyl)-N-fluoroethanamine?
The IUPAC name of N-ethyl-2-(1-ethylcyclobutyl)-N-fluoroethanamine (CID 167122164) is N-ethyl-2-(1-ethylcyclobutyl)-N-fluoroethanamine.
What is the SMILES notation for N-ethyl-2-(1-ethylcyclobutyl)-N-fluoroethanamine?
The canonical SMILES for N-ethyl-2-(1-ethylcyclobutyl)-N-fluoroethanamine is CCN(F)CCC1(CC)CCC1.
What is the InChIKey of N-ethyl-2-(1-ethylcyclobutyl)-N-fluoroethanamine?
The InChIKey is ICSKDNREPNXSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-3-10(6-5-7-10)8-9-12(11)4-2/h3-9H2,1-2H3.
What are the key properties of N-ethyl-2-(1-ethylcyclobutyl)-N-fluoroethanamine?
N-ethyl-2-(1-ethylcyclobutyl)-N-fluoroethanamine has a molecular weight of 173.27 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-ethylcyclobutyl)-N-fluoroethanamine is sourced from PubChem (CID 167122164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).