3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine

C11H22F3N — CID 115517334

IUPAC3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine
SMILESCC(C)(C)CCNCCCCC(F)(F)F
InChIInChI=1S/C11H22F3N/c1-10(2,3)7-9-15-8-5-4-6-11(12,13)14/h15H,4-9H2,1-3H3
InChIKeyLBQPQQIWBIWMBA-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.74
Rot. Bonds6

About 3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine

3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine (PubChem CID 115517334) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is 3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine
PubChem CID115517334
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Name3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine
SMILESCC(C)(C)CCNCCCCC(F)(F)F
InChIInChI=1S/C11H22F3N/c1-10(2,3)7-9-15-8-5-4-6-11(12,13)14/h15H,4-9H2,1-3H3
InChIKeyLBQPQQIWBIWMBA-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-20,20-dimethylhenicosane
CID 152547440
N-methyl-N'-(4,4,4-trifluorobutyl)butane-1,4-diamine
CID 115520274
N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
CID 115518829
2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine
CID 115520295
N-(3-iodopropyl)-3,3-dimethylbutan-1-amine
CID 114503605
N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115520149
4,4,4-trifluoro-N-(2-methylsulfanylethyl)butan-1-amine
CID 115513722
18,18-dimethyl-N-octadecylnonadecan-1-amine
CID 154404952
4,4,4-trifluoro-N-(4-methoxybutyl)butan-1-amine
CID 115513641
2-hydroxy-2-methyl-3-(5,5,5-trifluoropentylamino)propanoic acid
CID 104644905
N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine
CID 63228081

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine (CID 115517334) is 3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine is CC(C)(C)CCNCCCCC(F)(F)F.
What is the InChIKey of 3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine?
The InChIKey is LBQPQQIWBIWMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N/c1-10(2,3)7-9-15-8-5-4-6-11(12,13)14/h15H,4-9H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine?
3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine has a molecular weight of 225.30 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine is sourced from PubChem (CID 115517334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).