N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C15H30F3NO — CID 83151556

IUPACN-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCC(C)C(C)(CCCOCC(F)(F)F)CNC(C)(C)C
InChIInChI=1S/C15H30F3NO/c1-12(2)14(6,10-19-13(3,4)5)8-7-9-20-11-15(16,17)18/h12,19H,7-11H2,1-6H3
InChIKeyRDEFSXSQRHDYCU-UHFFFAOYSA-N
MW297.41 g/mol
LogP4.40
Rot. Bonds8

About N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 83151556) has the molecular formula C15H30F3NO and a molecular weight of 297.41 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID83151556
Molecular FormulaC15H30F3NO
Molecular Weight297.41 g/mol
Exact Mass297.23
IUPAC NameN-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCC(C)C(C)(CCCOCC(F)(F)F)CNC(C)(C)C
InChIInChI=1S/C15H30F3NO/c1-12(2)14(6,10-19-13(3,4)5)8-7-9-20-11-15(16,17)18/h12,19H,7-11H2,1-6H3
InChIKeyRDEFSXSQRHDYCU-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 54.40
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-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83150372
N-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83151109
2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83151326
N-tert-butyl-2-methyl-2-propan-2-ylheptan-1-amine
CID 83150707
N-tert-butyl-2,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine
CID 106457269
N-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 79621830
N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine
CID 83151435
N-tert-butyl-2,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
CID 83150555
N,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723721
N-tert-butyl-2,2-dimethyl-3-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956991
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
1-chloro-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentane
CID 66059966

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 83151556) is N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CC(C)C(C)(CCCOCC(F)(F)F)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is RDEFSXSQRHDYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3NO/c1-12(2)14(6,10-19-13(3,4)5)8-7-9-20-11-15(16,17)18/h12,19H,7-11H2,1-6H3.
What are the key properties of N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 297.41 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 83151556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).