3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine

C14H23N3O — CID 65294666

IUPAC3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCCn2cccn2)C12CCC2
InChIInChI=1S/C14H23N3O/c1-2-18-13-11-12(14(13)5-3-6-14)15-8-10-17-9-4-7-16-17/h4,7,9,12-13,15H,2-3,5-6,8,10-11H2,1H3
InChIKeyKSMGROYAQZWQBI-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.82
Rot. Bonds6

About 3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine

3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine (PubChem CID 65294666) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine
PubChem CID65294666
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCCn2cccn2)C12CCC2
InChIInChI=1S/C14H23N3O/c1-2-18-13-11-12(14(13)5-3-6-14)15-8-10-17-9-4-7-16-17/h4,7,9,12-13,15H,2-3,5-6,8,10-11H2,1H3
InChIKeyKSMGROYAQZWQBI-UHFFFAOYSA-N
XLogP1.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)spiro[3.4]octan-1-amine
CID 64864627
3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine
CID 80685329
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
CID 113352285
3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine
CID 64863091
3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine
CID 65294383
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine
CID 65294827
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056
N-(3-ethoxyspiro[3.4]octan-1-yl)-N',N'-diethylethane-1,2-diamine
CID 64862891
3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine
CID 64864412
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

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine (CID 65294666) is 3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine is CCOC1CC(NCCn2cccn2)C12CCC2.
What is the InChIKey of 3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine?
The InChIKey is KSMGROYAQZWQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-18-13-11-12(14(13)5-3-6-14)15-8-10-17-9-4-7-16-17/h4,7,9,12-13,15H,2-3,5-6,8,10-11H2,1H3.
What are the key properties of 3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine?
3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 1.82, 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-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65294666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).