N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine

C15H25N3O — CID 112705354

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCc2cn(C)nc2C)C12CCC2
InChIInChI=1S/C15H25N3O/c1-4-19-14-8-13(15(14)6-5-7-15)16-9-12-10-18(3)17-11(12)2/h10,13-14,16H,4-9H2,1-3H3
InChIKeyDQXKODKLGGOTPH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.17
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine (PubChem CID 112705354) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
PubChem CID112705354
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCc2cn(C)nc2C)C12CCC2
InChIInChI=1S/C15H25N3O/c1-4-19-14-8-13(15(14)6-5-7-15)16-9-12-10-18(3)17-11(12)2/h10,13-14,16H,4-9H2,1-3H3
InChIKeyDQXKODKLGGOTPH-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,3R)-3-ethoxy-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97100700
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 103851896
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
(1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97044557
(1R,3S)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97044558
3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine
CID 114699252
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
N-[(5-bromo-2-fluorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294569
3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.3]heptan-1-amine
CID 103700293
(1S,3R)-3-ethoxy-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]spiro[3.3]heptan-1-amine
CID 99820365

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine (CID 112705354) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine is CCOC1CC(NCc2cn(C)nc2C)C12CCC2.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine?
The InChIKey is DQXKODKLGGOTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-19-14-8-13(15(14)6-5-7-15)16-9-12-10-18(3)17-11(12)2/h10,13-14,16H,4-9H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine is sourced from PubChem (CID 112705354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).