2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine

C12H23N3O2 — CID 112587158

IUPAC2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(C(CN)OCCOC(C)(C)C)cn1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)17-6-5-16-11(7-13)10-8-14-15(4)9-10/h8-9,11H,5-7,13H2,1-4H3
InChIKeyHIZBPNOCKBHDON-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.25
Rot. Bonds6

About 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine

2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 112587158) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID112587158
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(C(CN)OCCOC(C)(C)C)cn1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)17-6-5-16-11(7-13)10-8-14-15(4)9-10/h8-9,11H,5-7,13H2,1-4H3
InChIKeyHIZBPNOCKBHDON-UHFFFAOYSA-N
XLogP1.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.25
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

2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine
CID 63685973
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine
CID 102721703
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
2-(1-methylpyrazol-4-yl)-2-(4-methylsulfanylphenoxy)ethanamine
CID 63649329
4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole
CID 112591702
2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine
CID 105103681
2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 116758712
N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43272781
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492399
2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 116752121
4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine
CID 82534762
1-(1-methylpyrazol-4-yl)-1-(4,4,4-trifluorobutoxy)butan-2-amine
CID 82789396

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine (CID 112587158) is 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine is Cn1cc(C(CN)OCCOC(C)(C)C)cn1.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is HIZBPNOCKBHDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,3)17-6-5-16-11(7-13)10-8-14-15(4)9-10/h8-9,11H,5-7,13H2,1-4H3.
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine?
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 241.33 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 112587158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).