N-[(2-methylpropan-2-yl)oxy]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C12H23N3O — CID 82719907

IUPACN-[(2-methylpropan-2-yl)oxy]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(C)NOC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-8-11(10(3)15(7)13-8)9(2)14-16-12(4,5)6/h9,14H,1-7H3
InChIKeyKOWIEGRPHSKYGX-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.42
Rot. Bonds3

About N-[(2-methylpropan-2-yl)oxy]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

N-[(2-methylpropan-2-yl)oxy]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 82719907) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID82719907
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(C)NOC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-8-11(10(3)15(7)13-8)9(2)14-16-12(4,5)6/h9,14H,1-7H3
InChIKeyKOWIEGRPHSKYGX-UHFFFAOYSA-N
XLogP2.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2,2-trifluoroethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 82710918
2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 103460633
2-methyl-2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115726066
1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine
CID 65047775
4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine
CID 83010272
2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 62692855
tert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103783532
2-chloro-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]prop-2-en-1-amine
CID 115891116
5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 107270383
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107094110
3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 103776530
(1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
CID 81391838

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 82719907) is N-[(2-methylpropan-2-yl)oxy]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1C(C)NOC(C)(C)C.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is KOWIEGRPHSKYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-8-11(10(3)15(7)13-8)9(2)14-16-12(4,5)6/h9,14H,1-7H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N-[(2-methylpropan-2-yl)oxy]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 225.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 82719907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).