N-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C12H24F3NO — CID 55082815

IUPACN-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCNCC(CCCOCC(F)(F)F)C(C)C
InChIInChI=1S/C12H24F3NO/c1-4-16-8-11(10(2)3)6-5-7-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyJNPHPFZYDOXOCV-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.23
Rot. Bonds9

About N-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

N-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 55082815) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is N-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID55082815
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC NameN-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCNCC(CCCOCC(F)(F)F)C(C)C
InChIInChI=1S/C12H24F3NO/c1-4-16-8-11(10(2)3)6-5-7-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyJNPHPFZYDOXOCV-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of N-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 55082815) is N-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for N-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for N-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CCNCC(CCCOCC(F)(F)F)C(C)C.
What is the InChIKey of N-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is JNPHPFZYDOXOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-4-16-8-11(10(2)3)6-5-7-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3.
What are the key properties of N-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
N-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 255.32 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 55082815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).