(1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine

C15H25N3O — CID 97044557

IUPAC(1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
SMILESCCO[C@@H]1C[C@@H](NCc2cn[nH]c2C)C12CCCC2
InChIInChI=1S/C15H25N3O/c1-3-19-14-8-13(15(14)6-4-5-7-15)16-9-12-10-17-18-11(12)2/h10,13-14,16H,3-9H2,1-2H3,(H,17,18)/t13-,14-/m1/s1
InChIKeySHFPYOSGOXFGHU-ZIAGYGMSSA-N
MW263.38 g/mol
LogP2.55
Rot. Bonds5

About (1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine

(1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine (PubChem CID 97044557) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name(1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
PubChem CID97044557
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
SMILESCCO[C@@H]1C[C@@H](NCc2cn[nH]c2C)C12CCCC2
InChIInChI=1S/C15H25N3O/c1-3-19-14-8-13(15(14)6-4-5-7-15)16-9-12-10-17-18-11(12)2/h10,13-14,16H,3-9H2,1-2H3,(H,17,18)/t13-,14-/m1/s1
InChIKeySHFPYOSGOXFGHU-ZIAGYGMSSA-N
XLogP2.55
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97044555
(1S,3S)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97044556
(1R,3S)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97044558
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 103851896
3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine
CID 114699252
1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 71870678
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 112705354
3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65294485
N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295569
3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295035
3-ethoxy-N-[(2-fluorophenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295573
3-ethoxy-N-(1,3-thiazol-2-ylmethyl)spiro[3.5]nonan-1-amine
CID 65167786

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine?
The IUPAC name of (1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine (CID 97044557) is (1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine.
What is the SMILES notation for (1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine?
The canonical SMILES for (1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine is CCO[C@@H]1C[C@@H](NCc2cn[nH]c2C)C12CCCC2.
What is the InChIKey of (1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine?
The InChIKey is SHFPYOSGOXFGHU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-19-14-8-13(15(14)6-4-5-7-15)16-9-12-10-17-18-11(12)2/h10,13-14,16H,3-9H2,1-2H3,(H,17,18)/t13-,14-/m1/s1.
What are the key properties of (1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine?
(1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine is sourced from PubChem (CID 97044557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).