3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine

C17H29N3O — CID 80685329

IUPAC3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCc2cnn(C)c2)C12CCCCC2
InChIInChI=1S/C17H29N3O/c1-3-21-16-11-15(17(16)8-5-4-6-9-17)18-10-7-14-12-19-20(2)13-14/h12-13,15-16,18H,3-11H2,1-2H3
InChIKeyVULGBZCCMNUXSZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.68
Rot. Bonds6

About 3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine

3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine (PubChem CID 80685329) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine
PubChem CID80685329
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCc2cnn(C)c2)C12CCCCC2
InChIInChI=1S/C17H29N3O/c1-3-21-16-11-15(17(16)8-5-4-6-9-17)18-10-7-14-12-19-20(2)13-14/h12-13,15-16,18H,3-11H2,1-2H3
InChIKeyVULGBZCCMNUXSZ-UHFFFAOYSA-N
XLogP2.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 71980181
3-ethoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[3.3]heptan-1-amine
CID 104695163
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167891
(1R,3S)-3-ethoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.3]heptan-1-amine
CID 129358925
3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine
CID 65294827
3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine
CID 65294666
3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine
CID 65167746
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 103851896
3-ethoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]spiro[3.3]heptan-1-amine
CID 106396417
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
N-(3-ethoxyspiro[3.5]nonan-1-yl)pyridin-3-amine
CID 65170359

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine (CID 80685329) is 3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine is CCOC1CC(NCCc2cnn(C)c2)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine?
The InChIKey is VULGBZCCMNUXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-21-16-11-15(17(16)8-5-4-6-9-17)18-10-7-14-12-19-20(2)13-14/h12-13,15-16,18H,3-11H2,1-2H3.
What are the key properties of 3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine?
3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine is sourced from PubChem (CID 80685329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).