3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine

C9H20F2N2O — CID 169293331

IUPAC3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine
SMILESCNCCOCCC(F)(F)CCNC
InChIInChI=1S/C9H20F2N2O/c1-12-5-3-9(10,11)4-7-14-8-6-13-2/h12-13H,3-8H2,1-2H3
InChIKeyPZEBCJSDVJDTTC-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.86
Rot. Bonds9

About 3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine

3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine (PubChem CID 169293331) has the molecular formula C9H20F2N2O and a molecular weight of 210.27 g/mol. Its IUPAC name is 3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine
PubChem CID169293331
Molecular FormulaC9H20F2N2O
Molecular Weight210.27 g/mol
Exact Mass210.15
IUPAC Name3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine
SMILESCNCCOCCC(F)(F)CCNC
InChIInChI=1S/C9H20F2N2O/c1-12-5-3-9(10,11)4-7-14-8-6-13-2/h12-13H,3-8H2,1-2H3
InChIKeyPZEBCJSDVJDTTC-UHFFFAOYSA-N
XLogP0.86
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine?
The IUPAC name of 3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine (CID 169293331) is 3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine.
What is the SMILES notation for 3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine?
The canonical SMILES for 3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine is CNCCOCCC(F)(F)CCNC.
What is the InChIKey of 3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine?
The InChIKey is PZEBCJSDVJDTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2O/c1-12-5-3-9(10,11)4-7-14-8-6-13-2/h12-13H,3-8H2,1-2H3.
What are the key properties of 3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine?
3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine has a molecular weight of 210.27 g/mol, XLogP of 0.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine is sourced from PubChem (CID 169293331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).