N-(2-fluoroethyl)-N,4-dimethylpentan-1-amine

C9H20FN — CID 20811854

IUPACN-(2-fluoroethyl)-N,4-dimethylpentan-1-amine
SMILESCC(C)CCCN(C)CCF
InChIInChI=1S/C9H20FN/c1-9(2)5-4-7-11(3)8-6-10/h9H,4-8H2,1-3H3
InChIKeyUOEFNQDEIWTHIY-UHFFFAOYSA-N
MW161.26 g/mol
LogP2.32
Rot. Bonds6

About N-(2-fluoroethyl)-N,4-dimethylpentan-1-amine

N-(2-fluoroethyl)-N,4-dimethylpentan-1-amine (PubChem CID 20811854) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N,4-dimethylpentan-1-amine
PubChem CID20811854
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC NameN-(2-fluoroethyl)-N,4-dimethylpentan-1-amine
SMILESCC(C)CCCN(C)CCF
InChIInChI=1S/C9H20FN/c1-9(2)5-4-7-11(3)8-6-10/h9H,4-8H2,1-3H3
InChIKeyUOEFNQDEIWTHIY-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of N-(2-fluoroethyl)-N,4-dimethylpentan-1-amine (CID 20811854) is N-(2-fluoroethyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-N,4-dimethylpentan-1-amine is CC(C)CCCN(C)CCF.
What is the InChIKey of N-(2-fluoroethyl)-N,4-dimethylpentan-1-amine?
The InChIKey is UOEFNQDEIWTHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FN/c1-9(2)5-4-7-11(3)8-6-10/h9H,4-8H2,1-3H3.
What are the key properties of N-(2-fluoroethyl)-N,4-dimethylpentan-1-amine?
N-(2-fluoroethyl)-N,4-dimethylpentan-1-amine has a molecular weight of 161.26 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 20811854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).