N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]ethanamine

C14H23N3O2 — CID 79922824

IUPACN-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]ethanamine
SMILESCCNCc1ccn(C2CCOC3(CCOC3)C2)n1
InChIInChI=1S/C14H23N3O2/c1-2-15-10-12-3-6-17(16-12)13-4-7-19-14(9-13)5-8-18-11-14/h3,6,13,15H,2,4-5,7-11H2,1H3
InChIKeyOBFDQMNFHMTNRL-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.50
Rot. Bonds4

About N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]ethanamine

N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]ethanamine (PubChem CID 79922824) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]ethanamine
PubChem CID79922824
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]ethanamine
SMILESCCNCc1ccn(C2CCOC3(CCOC3)C2)n1
InChIInChI=1S/C14H23N3O2/c1-2-15-10-12-3-6-17(16-12)13-4-7-19-14(9-13)5-8-18-11-14/h3,6,13,15H,2,4-5,7-11H2,1H3
InChIKeyOBFDQMNFHMTNRL-UHFFFAOYSA-N
XLogP1.50
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]ethanamine (CID 79922824) is N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]ethanamine is CCNCc1ccn(C2CCOC3(CCOC3)C2)n1.
What is the InChIKey of N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]ethanamine?
The InChIKey is OBFDQMNFHMTNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-15-10-12-3-6-17(16-12)13-4-7-19-14(9-13)5-8-18-11-14/h3,6,13,15H,2,4-5,7-11H2,1H3.
What are the key properties of N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]ethanamine?
N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 79922824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).