N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine

C11H20F2N4O — CID 82005716

IUPACN-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn(CCOCC(F)F)nn1
InChIInChI=1S/C11H20F2N4O/c1-11(2,3)14-6-9-7-17(16-15-9)4-5-18-8-10(12)13/h7,10,14H,4-6,8H2,1-3H3
InChIKeyQZNLNHGEJQSFMY-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.45
Rot. Bonds7

About N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 82005716) has the molecular formula C11H20F2N4O and a molecular weight of 262.30 g/mol. Its IUPAC name is N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID82005716
Molecular FormulaC11H20F2N4O
Molecular Weight262.30 g/mol
Exact Mass262.16
IUPAC NameN-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn(CCOCC(F)F)nn1
InChIInChI=1S/C11H20F2N4O/c1-11(2,3)14-6-9-7-17(16-15-9)4-5-18-8-10(12)13/h7,10,14H,4-6,8H2,1-3H3
InChIKeyQZNLNHGEJQSFMY-UHFFFAOYSA-N
XLogP1.45
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62485269
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
2-methyl-N-[[1-[2-(thiophen-2-ylmethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62485434
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine
CID 62432654
2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
CID 66191679
2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62452374
6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
CID 107707372
N-[[1-[3-(dimethylamino)propyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114526861
1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol
CID 66193423
N-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438721
2-methyl-N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449803
2-methyl-N-[[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 66191878

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (CID 82005716) is N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cn(CCOCC(F)F)nn1.
What is the InChIKey of N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is QZNLNHGEJQSFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N4O/c1-11(2,3)14-6-9-7-17(16-15-9)4-5-18-8-10(12)13/h7,10,14H,4-6,8H2,1-3H3.
What are the key properties of N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 262.30 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82005716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).