2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine

C15H27N3O — CID 112570182

IUPAC2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCOCCNCC(Cc1ccn(C)n1)C1CCCC1
InChIInChI=1S/C15H27N3O/c1-18-9-7-15(17-18)11-14(12-16-8-10-19-2)13-5-3-4-6-13/h7,9,13-14,16H,3-6,8,10-12H2,1-2H3
InChIKeyAYODSJVTOMERJN-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.01
Rot. Bonds8

About 2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine

2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine (PubChem CID 112570182) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
PubChem CID112570182
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCOCCNCC(Cc1ccn(C)n1)C1CCCC1
InChIInChI=1S/C15H27N3O/c1-18-9-7-15(17-18)11-14(12-16-8-10-19-2)13-5-3-4-6-13/h7,9,13-14,16H,3-6,8,10-12H2,1-2H3
InChIKeyAYODSJVTOMERJN-UHFFFAOYSA-N
XLogP2.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine (CID 112570182) is 2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine is COCCNCC(Cc1ccn(C)n1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is AYODSJVTOMERJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-18-9-7-15(17-18)11-14(12-16-8-10-19-2)13-5-3-4-6-13/h7,9,13-14,16H,3-6,8,10-12H2,1-2H3.
What are the key properties of 2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 112570182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).