N-tert-butyl-7,7-difluoro-2,2,8-trimethylnonan-1-amine

C16H33F2N — CID 88973658

IUPACN-tert-butyl-7,7-difluoro-2,2,8-trimethylnonan-1-amine
SMILESCC(C)C(F)(F)CCCCC(C)(C)CNC(C)(C)C
InChIInChI=1S/C16H33F2N/c1-13(2)16(17,18)11-9-8-10-15(6,7)12-19-14(3,4)5/h13,19H,8-12H2,1-7H3
InChIKeyONPGIAVCVTWYFH-UHFFFAOYSA-N
MW277.44 g/mol
LogP5.25
Rot. Bonds8

About N-tert-butyl-7,7-difluoro-2,2,8-trimethylnonan-1-amine

N-tert-butyl-7,7-difluoro-2,2,8-trimethylnonan-1-amine (PubChem CID 88973658) has the molecular formula C16H33F2N and a molecular weight of 277.44 g/mol. Its IUPAC name is N-tert-butyl-7,7-difluoro-2,2,8-trimethylnonan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-7,7-difluoro-2,2,8-trimethylnonan-1-amine
PubChem CID88973658
Molecular FormulaC16H33F2N
Molecular Weight277.44 g/mol
Exact Mass277.26
IUPAC NameN-tert-butyl-7,7-difluoro-2,2,8-trimethylnonan-1-amine
SMILESCC(C)C(F)(F)CCCCC(C)(C)CNC(C)(C)C
InChIInChI=1S/C16H33F2N/c1-13(2)16(17,18)11-9-8-10-15(6,7)12-19-14(3,4)5/h13,19H,8-12H2,1-7H3
InChIKeyONPGIAVCVTWYFH-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.44
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-tert-butyl-7,7-difluoro-2,2,8-trimethylnonan-1-amine?
The IUPAC name of N-tert-butyl-7,7-difluoro-2,2,8-trimethylnonan-1-amine (CID 88973658) is N-tert-butyl-7,7-difluoro-2,2,8-trimethylnonan-1-amine.
What is the SMILES notation for N-tert-butyl-7,7-difluoro-2,2,8-trimethylnonan-1-amine?
The canonical SMILES for N-tert-butyl-7,7-difluoro-2,2,8-trimethylnonan-1-amine is CC(C)C(F)(F)CCCCC(C)(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-7,7-difluoro-2,2,8-trimethylnonan-1-amine?
The InChIKey is ONPGIAVCVTWYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33F2N/c1-13(2)16(17,18)11-9-8-10-15(6,7)12-19-14(3,4)5/h13,19H,8-12H2,1-7H3.
What are the key properties of N-tert-butyl-7,7-difluoro-2,2,8-trimethylnonan-1-amine?
N-tert-butyl-7,7-difluoro-2,2,8-trimethylnonan-1-amine has a molecular weight of 277.44 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7,7-difluoro-2,2,8-trimethylnonan-1-amine is sourced from PubChem (CID 88973658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).