N-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine

C15H30F3NO — CID 62530713

IUPACN-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
SMILESCC(C)CC(CCCOCC(F)(F)F)CNC(C)(C)C
InChIInChI=1S/C15H30F3NO/c1-12(2)9-13(10-19-14(3,4)5)7-6-8-20-11-15(16,17)18/h12-13,19H,6-11H2,1-5H3
InChIKeySAILNPURHIVOBR-UHFFFAOYSA-N
MW297.41 g/mol
LogP4.40
Rot. Bonds9

About N-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine

N-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine (PubChem CID 62530713) has the molecular formula C15H30F3NO and a molecular weight of 297.41 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
PubChem CID62530713
Molecular FormulaC15H30F3NO
Molecular Weight297.41 g/mol
Exact Mass297.23
IUPAC NameN-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
SMILESCC(C)CC(CCCOCC(F)(F)F)CNC(C)(C)C
InChIInChI=1S/C15H30F3NO/c1-12(2)9-13(10-19-14(3,4)5)7-6-8-20-11-15(16,17)18/h12-13,19H,6-11H2,1-5H3
InChIKeySAILNPURHIVOBR-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

N-[3,3-difluoro-5-(5-methyldodecan-5-yloxy)pentyl]-5-methyldodecan-5-amine
CID 156046168
3-(Difluoromethoxymethyl)-2-propan-2-ylpiperidine
CID 170771809
N,2,2-trimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961720
N-ethyl-2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961721
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
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961820
N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961821
N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961822
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961873
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
The IUPAC name of N-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine (CID 62530713) is N-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine is CC(C)CC(CCCOCC(F)(F)F)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
The InChIKey is SAILNPURHIVOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3NO/c1-12(2)9-13(10-19-14(3,4)5)7-6-8-20-11-15(16,17)18/h12-13,19H,6-11H2,1-5H3.
What are the key properties of N-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
N-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine has a molecular weight of 297.41 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine is sourced from PubChem (CID 62530713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).