5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine

C10H20F3NO — CID 115002355

IUPAC5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine
SMILESCCCCOCCC(CC(F)(F)F)NC
InChIInChI=1S/C10H20F3NO/c1-3-4-6-15-7-5-9(14-2)8-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyHNBMATIRAIGNFP-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds8

About 5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine

5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine (PubChem CID 115002355) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine.

Molecular Properties

Compound Name5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine
PubChem CID115002355
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine
SMILESCCCCOCCC(CC(F)(F)F)NC
InChIInChI=1S/C10H20F3NO/c1-3-4-6-15-7-5-9(14-2)8-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyHNBMATIRAIGNFP-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.73
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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Related Compounds

1-butoxy-5-methoxy-N-methylpentan-3-amine
CID 114998768
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
CID 104567852
6-butoxy-N-methylhexan-3-amine
CID 61483969
N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148516
N-methyl-6-octoxyhexan-3-amine
CID 106800853
N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine
CID 103214874
1-butoxy-5-(3,3,3-trifluoropropoxy)pentane
CID 59366555
1-butoxybutane;N-methylmethanamine
CID 88830911
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine
CID 104564635
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
1-methoxy-N-methyl-5-propoxypentan-2-amine
CID 106454502
3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol
CID 64804616

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine?
The IUPAC name of 5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine (CID 115002355) is 5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine.
What is the SMILES notation for 5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine?
The canonical SMILES for 5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine is CCCCOCCC(CC(F)(F)F)NC.
What is the InChIKey of 5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine?
The InChIKey is HNBMATIRAIGNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-3-4-6-15-7-5-9(14-2)8-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of 5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine?
5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine is sourced from PubChem (CID 115002355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).