2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

C15H29N3O3 — CID 104562263

IUPAC2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCCCOCCOCCOCCNCc1ccnn1C
InChIInChI=1S/C15H29N3O3/c1-3-4-8-19-10-12-21-13-11-20-9-7-16-14-15-5-6-17-18(15)2/h5-6,16H,3-4,7-14H2,1-2H3
InChIKeyPPYQNQCYFHCPKP-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.36
Rot. Bonds14

About 2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 104562263) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID104562263
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCCCOCCOCCOCCNCc1ccnn1C
InChIInChI=1S/C15H29N3O3/c1-3-4-8-19-10-12-21-13-11-20-9-7-16-14-15-5-6-17-18(15)2/h5-6,16H,3-4,7-14H2,1-2H3
InChIKeyPPYQNQCYFHCPKP-UHFFFAOYSA-N
XLogP1.36
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine
CID 103004060
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111693908
2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001881
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103006076
1-(2-butoxyethyl)-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111953409
N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 43663207
3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663329
N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine
CID 106723723
2-[2-[(2-ethylpyrazol-3-yl)methylamino]ethoxy]ethanol
CID 75525234
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]ethanol
CID 103001295
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
CID 43435289

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (CID 104562263) is 2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is CCCCOCCOCCOCCNCc1ccnn1C.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is PPYQNQCYFHCPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-3-4-8-19-10-12-21-13-11-20-9-7-16-14-15-5-6-17-18(15)2/h5-6,16H,3-4,7-14H2,1-2H3.
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 299.41 g/mol, XLogP of 1.36, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 104562263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).