N-tert-butyl-5-[2-(tert-butylamino)ethoxy]-3,3-difluoropentan-1-amine

C15H32F2N2O — CID 118912802

IUPACN-tert-butyl-5-[2-(tert-butylamino)ethoxy]-3,3-difluoropentan-1-amine
SMILESCC(C)(C)NCCOCCC(F)(F)CCNC(C)(C)C
InChIInChI=1S/C15H32F2N2O/c1-13(2,3)18-9-7-15(16,17)8-11-20-12-10-19-14(4,5)6/h18-19H,7-12H2,1-6H3
InChIKeyRAPJYZHDQWHYDD-UHFFFAOYSA-N
MW294.43 g/mol
LogP3.19
Rot. Bonds9

About N-tert-butyl-5-[2-(tert-butylamino)ethoxy]-3,3-difluoropentan-1-amine

N-tert-butyl-5-[2-(tert-butylamino)ethoxy]-3,3-difluoropentan-1-amine (PubChem CID 118912802) has the molecular formula C15H32F2N2O and a molecular weight of 294.43 g/mol. Its IUPAC name is N-tert-butyl-5-[2-(tert-butylamino)ethoxy]-3,3-difluoropentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-[2-(tert-butylamino)ethoxy]-3,3-difluoropentan-1-amine
PubChem CID118912802
Molecular FormulaC15H32F2N2O
Molecular Weight294.43 g/mol
Exact Mass294.25
IUPAC NameN-tert-butyl-5-[2-(tert-butylamino)ethoxy]-3,3-difluoropentan-1-amine
SMILESCC(C)(C)NCCOCCC(F)(F)CCNC(C)(C)C
InChIInChI=1S/C15H32F2N2O/c1-13(2,3)18-9-7-15(16,17)8-11-20-12-10-19-14(4,5)6/h18-19H,7-12H2,1-6H3
InChIKeyRAPJYZHDQWHYDD-UHFFFAOYSA-N
XLogP3.19
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-aminoethoxy)-3,3-difluoro-N-methylpentan-1-amine
CID 124200898
N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 126671493
N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine
CID 138460818
1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine
CID 141198660
N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine
CID 146607019
5-(2-aminoethoxy)-N-tert-butyl-3,3-difluoropentan-1-amine
CID 148359769
N-tert-butyl-3,3-difluoro-5-propoxypentan-1-amine
CID 161607679
1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine
CID 166795986
5-(2-aminoethoxy)-3,3-difluoro-N-(2-methylbutan-2-yl)pentan-1-amine
CID 167254520
3,3-difluoro-N-methyl-5-[2-(methylamino)ethoxy]pentan-1-amine
CID 169293331
N-tert-butyl-5-ethoxy-3,3-difluoropentan-1-amine
CID 169880990
3,3-Difluoro-5-[2-(2-methylbutan-2-ylamino)ethoxy]pentan-1-amine
CID 177010705

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[2-(tert-butylamino)ethoxy]-3,3-difluoropentan-1-amine?
The IUPAC name of N-tert-butyl-5-[2-(tert-butylamino)ethoxy]-3,3-difluoropentan-1-amine (CID 118912802) is N-tert-butyl-5-[2-(tert-butylamino)ethoxy]-3,3-difluoropentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-[2-(tert-butylamino)ethoxy]-3,3-difluoropentan-1-amine?
The canonical SMILES for N-tert-butyl-5-[2-(tert-butylamino)ethoxy]-3,3-difluoropentan-1-amine is CC(C)(C)NCCOCCC(F)(F)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-[2-(tert-butylamino)ethoxy]-3,3-difluoropentan-1-amine?
The InChIKey is RAPJYZHDQWHYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32F2N2O/c1-13(2,3)18-9-7-15(16,17)8-11-20-12-10-19-14(4,5)6/h18-19H,7-12H2,1-6H3.
What are the key properties of N-tert-butyl-5-[2-(tert-butylamino)ethoxy]-3,3-difluoropentan-1-amine?
N-tert-butyl-5-[2-(tert-butylamino)ethoxy]-3,3-difluoropentan-1-amine has a molecular weight of 294.43 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[2-(tert-butylamino)ethoxy]-3,3-difluoropentan-1-amine is sourced from PubChem (CID 118912802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).