N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine

C13H27F2NO — CID 126671493

IUPACN-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
SMILESCC(C)(C)NCCC(F)(F)CCOC(C)(C)C
InChIInChI=1S/C13H27F2NO/c1-11(2,3)16-9-7-13(14,15)8-10-17-12(4,5)6/h16H,7-10H2,1-6H3
InChIKeyUGFBFTSKWFLCQP-UHFFFAOYSA-N
MW251.36 g/mol
LogP3.61
Rot. Bonds6

About N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine

N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine (PubChem CID 126671493) has the molecular formula C13H27F2NO and a molecular weight of 251.36 g/mol. Its IUPAC name is N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
PubChem CID126671493
Molecular FormulaC13H27F2NO
Molecular Weight251.36 g/mol
Exact Mass251.21
IUPAC NameN-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
SMILESCC(C)(C)NCCC(F)(F)CCOC(C)(C)C
InChIInChI=1S/C13H27F2NO/c1-11(2,3)16-9-7-13(14,15)8-10-17-12(4,5)6/h16H,7-10H2,1-6H3
InChIKeyUGFBFTSKWFLCQP-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine?
The IUPAC name of N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine (CID 126671493) is N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine?
The canonical SMILES for N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine is CC(C)(C)NCCC(F)(F)CCOC(C)(C)C.
What is the InChIKey of N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine?
The InChIKey is UGFBFTSKWFLCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F2NO/c1-11(2,3)16-9-7-13(14,15)8-10-17-12(4,5)6/h16H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine?
N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine has a molecular weight of 251.36 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine is sourced from PubChem (CID 126671493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).