N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine

C15H29N3O3 — CID 104567615

IUPACN-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCCOCCn1nccc1CNC(C)(C)C
InChIInChI=1S/C15H29N3O3/c1-15(2,3)16-13-14-5-6-17-18(14)7-8-20-11-12-21-10-9-19-4/h5-6,16H,7-13H2,1-4H3
InChIKeyNGZFPYUUUXLOHD-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.45
Rot. Bonds11

About N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 104567615) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID104567615
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC NameN-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCCOCCn1nccc1CNC(C)(C)C
InChIInChI=1S/C15H29N3O3/c1-15(2,3)16-13-14-5-6-17-18(14)7-8-20-11-12-21-10-9-19-4/h5-6,16H,7-13H2,1-4H3
InChIKeyNGZFPYUUUXLOHD-UHFFFAOYSA-N
XLogP1.45
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.45
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

1-((1-Methyl-1H-pyrazol-3-yl)methyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 118742073
(2-methoxyethyl)[(1-methyl-1H-pyrazol-5-yl)methyl]amine
CID 43663120
N-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 46986896
3-(Difluoromethyl)-1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-amine
CID 155680637
1-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-2-amine
CID 55088322
N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55169597
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 62564863
N-(2-ethoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 62565251
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 62565252
4-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butan-1-amine
CID 62566024
N-(2-butoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 62566025
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 62566381

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine (CID 104567615) is N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine is COCCOCCOCCn1nccc1CNC(C)(C)C.
What is the InChIKey of N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is NGZFPYUUUXLOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,3)16-13-14-5-6-17-18(14)7-8-20-11-12-21-10-9-19-4/h5-6,16H,7-13H2,1-4H3.
What are the key properties of N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 299.42 g/mol, XLogP of 1.45, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104567615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).