N-tert-butyl-2-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methylpropan-1-amine

C15H29F2NO — CID 88973540

IUPACN-tert-butyl-2-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methylpropan-1-amine
SMILESCC(C)C(F)(F)/C=C/COC(C)(C)CNC(C)(C)C
InChIInChI=1S/C15H29F2NO/c1-12(2)15(16,17)9-8-10-19-14(6,7)11-18-13(3,4)5/h8-9,12,18H,10-11H2,1-7H3/b9-8+
InChIKeyZVZCGOPLSJUTOD-CMDGGOBGSA-N
MW277.40 g/mol
LogP4.02
Rot. Bonds7

About N-tert-butyl-2-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methylpropan-1-amine

N-tert-butyl-2-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methylpropan-1-amine (PubChem CID 88973540) has the molecular formula C15H29F2NO and a molecular weight of 277.40 g/mol. Its IUPAC name is N-tert-butyl-2-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methylpropan-1-amine
PubChem CID88973540
Molecular FormulaC15H29F2NO
Molecular Weight277.40 g/mol
Exact Mass277.22
IUPAC NameN-tert-butyl-2-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methylpropan-1-amine
SMILESCC(C)C(F)(F)/C=C/COC(C)(C)CNC(C)(C)C
InChIInChI=1S/C15H29F2NO/c1-12(2)15(16,17)9-8-10-19-14(6,7)11-18-13(3,4)5/h8-9,12,18H,10-11H2,1-7H3/b9-8+
InChIKeyZVZCGOPLSJUTOD-CMDGGOBGSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methylpropan-1-amine?
The IUPAC name of N-tert-butyl-2-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methylpropan-1-amine (CID 88973540) is N-tert-butyl-2-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methylpropan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methylpropan-1-amine is CC(C)C(F)(F)/C=C/COC(C)(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methylpropan-1-amine?
The InChIKey is ZVZCGOPLSJUTOD-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H29F2NO/c1-12(2)15(16,17)9-8-10-19-14(6,7)11-18-13(3,4)5/h8-9,12,18H,10-11H2,1-7H3/b9-8+.
What are the key properties of N-tert-butyl-2-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methylpropan-1-amine?
N-tert-butyl-2-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methylpropan-1-amine has a molecular weight of 277.40 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methylpropan-1-amine is sourced from PubChem (CID 88973540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).