3-ethoxy-N-[(1-methylpyrazol-3-yl)methyl]spiro[3.4]octan-1-amine

C15H25N3O — CID 79033180

IUPAC3-ethoxy-N-[(1-methylpyrazol-3-yl)methyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCc2ccn(C)n2)C12CCCC2
InChIInChI=1S/C15H25N3O/c1-3-19-14-10-13(15(14)7-4-5-8-15)16-11-12-6-9-18(2)17-12/h6,9,13-14,16H,3-5,7-8,10-11H2,1-2H3
InChIKeyCPBDLRJNVYEMNS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.25
Rot. Bonds5

About 3-ethoxy-N-[(1-methylpyrazol-3-yl)methyl]spiro[3.4]octan-1-amine

3-ethoxy-N-[(1-methylpyrazol-3-yl)methyl]spiro[3.4]octan-1-amine (PubChem CID 79033180) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-ethoxy-N-[(1-methylpyrazol-3-yl)methyl]spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(1-methylpyrazol-3-yl)methyl]spiro[3.4]octan-1-amine
PubChem CID79033180
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-ethoxy-N-[(1-methylpyrazol-3-yl)methyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCc2ccn(C)n2)C12CCCC2
InChIInChI=1S/C15H25N3O/c1-3-19-14-10-13(15(14)7-4-5-8-15)16-11-12-6-9-18(2)17-12/h6,9,13-14,16H,3-5,7-8,10-11H2,1-2H3
InChIKeyCPBDLRJNVYEMNS-UHFFFAOYSA-N
XLogP2.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1-methylpyrazol-3-yl)methyl]spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-[(1-methylpyrazol-3-yl)methyl]spiro[3.4]octan-1-amine (CID 79033180) is 3-ethoxy-N-[(1-methylpyrazol-3-yl)methyl]spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(1-methylpyrazol-3-yl)methyl]spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(1-methylpyrazol-3-yl)methyl]spiro[3.4]octan-1-amine is CCOC1CC(NCc2ccn(C)n2)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-[(1-methylpyrazol-3-yl)methyl]spiro[3.4]octan-1-amine?
The InChIKey is CPBDLRJNVYEMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-19-14-10-13(15(14)7-4-5-8-15)16-11-12-6-9-18(2)17-12/h6,9,13-14,16H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(1-methylpyrazol-3-yl)methyl]spiro[3.4]octan-1-amine?
3-ethoxy-N-[(1-methylpyrazol-3-yl)methyl]spiro[3.4]octan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1-methylpyrazol-3-yl)methyl]spiro[3.4]octan-1-amine is sourced from PubChem (CID 79033180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).