2-methyl-N-[2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethyl]propan-2-amine

C14H26F3NO — CID 103274365

IUPAC2-methyl-N-[2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCC1(OCCCC(F)(F)F)CCC1
InChIInChI=1S/C14H26F3NO/c1-12(2,3)18-10-9-13(6-4-7-13)19-11-5-8-14(15,16)17/h18H,4-11H2,1-3H3
InChIKeyLBDOCQHYCQBQDQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.05
Rot. Bonds7

About 2-methyl-N-[2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethyl]propan-2-amine

2-methyl-N-[2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethyl]propan-2-amine (PubChem CID 103274365) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethyl]propan-2-amine
PubChem CID103274365
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name2-methyl-N-[2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCC1(OCCCC(F)(F)F)CCC1
InChIInChI=1S/C14H26F3NO/c1-12(2,3)18-10-9-13(6-4-7-13)19-11-5-8-14(15,16)17/h18H,4-11H2,1-3H3
InChIKeyLBDOCQHYCQBQDQ-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.05
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 2-methyl-N-[2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethyl]propan-2-amine (CID 103274365) is 2-methyl-N-[2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethyl]propan-2-amine is CC(C)(C)NCCC1(OCCCC(F)(F)F)CCC1.
What is the InChIKey of 2-methyl-N-[2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethyl]propan-2-amine?
The InChIKey is LBDOCQHYCQBQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-12(2,3)18-10-9-13(6-4-7-13)19-11-5-8-14(15,16)17/h18H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethyl]propan-2-amine?
2-methyl-N-[2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethyl]propan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethyl]propan-2-amine is sourced from PubChem (CID 103274365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).