N-tert-butyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C14H28F3NO — CID 62528345

IUPACN-tert-butyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCC(CCCOCC(F)(F)F)CNC(C)(C)C
InChIInChI=1S/C14H28F3NO/c1-5-7-12(10-18-13(2,3)4)8-6-9-19-11-14(15,16)17/h12,18H,5-11H2,1-4H3
InChIKeyWXUIVNSBVZOWNW-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.15
Rot. Bonds9

About N-tert-butyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

N-tert-butyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 62528345) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is N-tert-butyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID62528345
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC NameN-tert-butyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCC(CCCOCC(F)(F)F)CNC(C)(C)C
InChIInChI=1S/C14H28F3NO/c1-5-7-12(10-18-13(2,3)4)8-6-9-19-11-14(15,16)17/h12,18H,5-11H2,1-4H3
InChIKeyWXUIVNSBVZOWNW-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.15
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

N-Cyclohexyl-4-[(2,2,2-trifluoroethoxy)methyl]cyclohexan-1-amine
CID 67483668
N-(2,2-difluoro-4-methylpentyl)-5,5-difluoro-6-methoxy-3-methylhexan-1-amine
CID 132011838
N-[3,3-difluoro-5-(5-methyldodecan-5-yloxy)pentyl]-5-methyldodecan-5-amine
CID 156046168
N-tert-butyl-3,3-difluoro-5-propoxypentan-1-amine
CID 161607679
N-tert-butyl-5-ethoxy-3,3-difluoropentan-1-amine
CID 169880990
N-[[4-(trifluoromethoxy)cyclohexyl]methyl]propan-2-amine
CID 178674715
molecular hydrogen;N-[[4-(trifluoromethoxy)cyclohexyl]methyl]propan-2-amine
CID 178674722
N-ethyl-2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961721
N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961769
N-ethyl-2-methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961770
2-methyl-N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961771
3-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 54961772

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 62528345) is N-tert-butyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CCCC(CCCOCC(F)(F)F)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is WXUIVNSBVZOWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-5-7-12(10-18-13(2,3)4)8-6-9-19-11-14(15,16)17/h12,18H,5-11H2,1-4H3.
What are the key properties of N-tert-butyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
N-tert-butyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 62528345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).