3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol

C10H20F3NO — CID 106175291

IUPAC3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol
SMILESCCC(C)(CCO)NCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-9(2,6-8-15)14-7-4-5-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeyGWSCGZGADGWVKC-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.47
Rot. Bonds7

About 3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol

3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol (PubChem CID 106175291) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol
PubChem CID106175291
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol
SMILESCCC(C)(CCO)NCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-9(2,6-8-15)14-7-4-5-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeyGWSCGZGADGWVKC-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropylamino)-3-methylpentan-1-ol
CID 103950077
3-methyl-3-[[5-methyl-5-[[(Z)-4-[[3-methyl-7-(3-methylpentan-3-ylamino)heptan-3-yl]amino]but-2-enyl]amino]heptyl]amino]pentan-1-ol
CID 89345127
3-methyl-3-(octylamino)pentane-1,5-diol
CID 54557477
3-(3-hydroxybutylamino)-3-methylpentan-1-ol
CID 106175110
3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid
CID 106175375
4-ethyl-1-N-(3-methylpentan-3-yl)hexane-1,4-diamine
CID 91395306
N-[(3R)-3-methylhexan-3-yl]dodecan-1-amine
CID 163587964
N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115520149
methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate
CID 103774810
3,3,3-trifluoro-2-methyl-2-(4,4,4-trifluorobutylamino)propanoic acid
CID 115514712
2-(hexylamino)-2-methylbutan-1-ol
CID 64550569
3-(2-methoxypropylamino)-3-methylpentan-1-ol
CID 106175766

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol?
The IUPAC name of 3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol (CID 106175291) is 3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol.
What is the SMILES notation for 3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol?
The canonical SMILES for 3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol is CCC(C)(CCO)NCCCC(F)(F)F.
What is the InChIKey of 3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol?
The InChIKey is GWSCGZGADGWVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-3-9(2,6-8-15)14-7-4-5-10(11,12)13/h14-15H,3-8H2,1-2H3.
What are the key properties of 3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol?
3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol has a molecular weight of 227.27 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol is sourced from PubChem (CID 106175291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).