3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)spiro[3.4]octan-1-amine

C16H27N3O — CID 64864627

IUPAC3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(C)Cn2cccn2)C12CCCC2
InChIInChI=1S/C16H27N3O/c1-3-20-15-11-14(16(15)7-4-5-8-16)18-13(2)12-19-10-6-9-17-19/h6,9-10,13-15,18H,3-5,7-8,11-12H2,1-2H3
InChIKeyACNWUHDDHULKJE-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.60
Rot. Bonds6

About 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)spiro[3.4]octan-1-amine

3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)spiro[3.4]octan-1-amine (PubChem CID 64864627) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)spiro[3.4]octan-1-amine
PubChem CID64864627
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(C)Cn2cccn2)C12CCCC2
InChIInChI=1S/C16H27N3O/c1-3-20-15-11-14(16(15)7-4-5-8-16)18-13(2)12-19-10-6-9-17-19/h6,9-10,13-15,18H,3-5,7-8,11-12H2,1-2H3
InChIKeyACNWUHDDHULKJE-UHFFFAOYSA-N
XLogP2.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine
CID 65294666
(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
CID 114987255
3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine
CID 112553202
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine
CID 65170115
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine
CID 65295225
3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine
CID 113352135
3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 65167790
1,7,7-trimethyl-N-(1-pyrazol-1-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 63022799
3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine
CID 81406128
3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.4]octan-1-amine
CID 65047702
(2S)-2-[[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 99799998
methyl 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-4-methylpentanoate
CID 64864245

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)spiro[3.4]octan-1-amine (CID 64864627) is 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)spiro[3.4]octan-1-amine is CCOC1CC(NC(C)Cn2cccn2)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)spiro[3.4]octan-1-amine?
The InChIKey is ACNWUHDDHULKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-20-15-11-14(16(15)7-4-5-8-16)18-13(2)12-19-10-6-9-17-19/h6,9-10,13-15,18H,3-5,7-8,11-12H2,1-2H3.
What are the key properties of 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)spiro[3.4]octan-1-amine?
3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)spiro[3.4]octan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)spiro[3.4]octan-1-amine is sourced from PubChem (CID 64864627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).