N-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine

C16H33F2NO — CID 157475293

IUPACN-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine
SMILESCC(C)(C)CCCOCCC(F)(F)CCNC(C)(C)C
InChIInChI=1S/C16H33F2NO/c1-14(2,3)8-7-12-20-13-10-16(17,18)9-11-19-15(4,5)6/h19H,7-13H2,1-6H3
InChIKeyLYRRLRXHSSGSSH-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.63
Rot. Bonds9

About N-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine

N-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine (PubChem CID 157475293) has the molecular formula C16H33F2NO and a molecular weight of 293.44 g/mol. Its IUPAC name is N-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine
PubChem CID157475293
Molecular FormulaC16H33F2NO
Molecular Weight293.44 g/mol
Exact Mass293.25
IUPAC NameN-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine
SMILESCC(C)(C)CCCOCCC(F)(F)CCNC(C)(C)C
InChIInChI=1S/C16H33F2NO/c1-14(2,3)8-7-12-20-13-10-16(17,18)9-11-19-15(4,5)6/h19H,7-13H2,1-6H3
InChIKeyLYRRLRXHSSGSSH-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.63
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-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 126671493
N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine
CID 146342441
N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine
CID 146607019
N-tert-butyl-3,3-difluoro-5-propoxypentan-1-amine
CID 161607679
N-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine;N,N'-ditert-butyl-3,3,4,4,5,5-hexafluoroheptane-1,7-diamine
CID 162033576
5-(2-aminoethoxy)-3,3-difluoro-N-(2-methylbutan-2-yl)pentan-1-amine
CID 167254520
N-tert-butyl-5-ethoxy-3,3-difluoropentan-1-amine
CID 169880990
N-tert-butyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083894
N,2-diethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106752
2-ethyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106802
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
N-tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62443880

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine?
The IUPAC name of N-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine (CID 157475293) is N-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine is CC(C)(C)CCCOCCC(F)(F)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine?
The InChIKey is LYRRLRXHSSGSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33F2NO/c1-14(2,3)8-7-12-20-13-10-16(17,18)9-11-19-15(4,5)6/h19H,7-13H2,1-6H3.
What are the key properties of N-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine?
N-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine has a molecular weight of 293.44 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine is sourced from PubChem (CID 157475293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).