N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine

C15H27N3O — CID 114624162

IUPACN-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccn(C2CC(C)(C)OC2(C)C)n1
InChIInChI=1S/C15H27N3O/c1-6-8-16-11-12-7-9-18(17-12)13-10-14(2,3)19-15(13,4)5/h7,9,13,16H,6,8,10-11H2,1-5H3
InChIKeyAIBZYMBPSZOKMN-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.90
Rot. Bonds5

About N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine

N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine (PubChem CID 114624162) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine
PubChem CID114624162
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccn(C2CC(C)(C)OC2(C)C)n1
InChIInChI=1S/C15H27N3O/c1-6-8-16-11-12-7-9-18(17-12)13-10-14(2,3)19-15(13,4)5/h7,9,13,16H,6,8,10-11H2,1-5H3
InChIKeyAIBZYMBPSZOKMN-UHFFFAOYSA-N
XLogP2.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.90
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 N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine (CID 114624162) is N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine is CCCNCc1ccn(C2CC(C)(C)OC2(C)C)n1.
What is the InChIKey of N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine?
The InChIKey is AIBZYMBPSZOKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-6-8-16-11-12-7-9-18(17-12)13-10-14(2,3)19-15(13,4)5/h7,9,13,16H,6,8,10-11H2,1-5H3.
What are the key properties of N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine?
N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114624162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).