3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine

C13H26F3NO — CID 83139215

IUPAC3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
SMILESCCCNCC(CCOCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H26F3NO/c1-5-7-17-9-11(12(2,3)4)6-8-18-10-13(14,15)16/h11,17H,5-10H2,1-4H3
InChIKeyZLCIUFRSBPHKHK-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.62
Rot. Bonds8

About 3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine

3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine (PubChem CID 83139215) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
PubChem CID83139215
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
SMILESCCCNCC(CCOCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H26F3NO/c1-5-7-17-9-11(12(2,3)4)6-8-18-10-13(14,15)16/h11,17H,5-10H2,1-4H3
InChIKeyZLCIUFRSBPHKHK-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.62
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

2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83139638
2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83138570
2-tert-butyl-N-propylhexan-1-amine
CID 83138918
2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 65430048
2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83138342
2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine
CID 83138608
6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148699
2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 106117233
N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 55083389
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
N,3,3-trimethyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106706186
N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
CID 62591348

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine (CID 83139215) is 3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine is CCCNCC(CCOCC(F)(F)F)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
The InChIKey is ZLCIUFRSBPHKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-5-7-17-9-11(12(2,3)4)6-8-18-10-13(14,15)16/h11,17H,5-10H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine is sourced from PubChem (CID 83139215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).