N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine;molecular hydrogen

C19H35N3O — CID 145047906

IUPACN-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine;molecular hydrogen
SMILESCCCN(C)Cc1ccnn1C1CCC2(CC1)CC(C)(C)CO2.[H][H]
InChIInChI=1S/C19H33N3O.H2/c1-5-12-21(4)13-17-8-11-20-22(17)16-6-9-19(10-7-16)14-18(2,3)15-23-19;/h8,11,16H,5-7,9-10,12-15H2,1-4H3;1H
InChIKeyHPQZBRDFNJCFEI-UHFFFAOYSA-N
MW321.51 g/mol
LogP4.27
Rot. Bonds5

About N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine;molecular hydrogen

N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine;molecular hydrogen (PubChem CID 145047906) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine;molecular hydrogen
PubChem CID145047906
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC NameN-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine;molecular hydrogen
SMILESCCCN(C)Cc1ccnn1C1CCC2(CC1)CC(C)(C)CO2.[H][H]
InChIInChI=1S/C19H33N3O.H2/c1-5-12-21(4)13-17-8-11-20-22(17)16-6-9-19(10-7-16)14-18(2,3)15-23-19;/h8,11,16H,5-7,9-10,12-15H2,1-4H3;1H
InChIKeyHPQZBRDFNJCFEI-UHFFFAOYSA-N
XLogP4.27
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethyl-1H-pyrazol-3-yl)methyl]-9-oxa-2-azaspiro[5.5]undecane
CID 91829921
(3S)-2-[(1-cyclopentylpyrazol-3-yl)methyl]-3-(oxan-4-yl)-2-azaspiro[3.3]heptane
CID 164629505
1-[[1-(2-Methoxyethyl)cyclohexyl]methyl]-5-methylpyrazole
CID 89498102
1-[[1-(Methoxymethyl)cyclohexyl]methyl]-5-methylpyrazole
CID 89498265
1-[[1-(2-Methoxyethyl)-3,3-dimethylcyclohexyl]methyl]-5-methylpyrazole
CID 89498327
1-(1-Cyclohexyl-3-methoxypropyl)-5-methylpyrazole
CID 89498366
1-[[1-(3-Methoxypropyl)cyclohexyl]methyl]-5-methylpyrazole
CID 89498523
1-[[1-(2-Methoxyethyl)cyclooctyl]methyl]-5-methylpyrazole
CID 89499068
tert-butyl N-(2-[[(1-[3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl]-1H-pyrazol-5-yl)methyl](methyl)amino]ethyl)-N-methylcarbamate
CID 90461287
tert-butyl N-methyl-N-(2-[methyl[(1-[spiro[4.5]decan-8-yl]-1H-pyrazol-5-yl)methyl]amino]ethyl)carbamate
CID 90463068
N'-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 117610553
N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,2,2-trimethylpropan-1-amine
CID 118963075

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine;molecular hydrogen?
The IUPAC name of N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine;molecular hydrogen (CID 145047906) is N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine;molecular hydrogen.
What is the SMILES notation for N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine;molecular hydrogen?
The canonical SMILES for N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine;molecular hydrogen is CCCN(C)Cc1ccnn1C1CCC2(CC1)CC(C)(C)CO2.[H][H].
What is the InChIKey of N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine;molecular hydrogen?
The InChIKey is HPQZBRDFNJCFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O.H2/c1-5-12-21(4)13-17-8-11-20-22(17)16-6-9-19(10-7-16)14-18(2,3)15-23-19;/h8,11,16H,5-7,9-10,12-15H2,1-4H3;1H.
What are the key properties of N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine;molecular hydrogen?
N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine;molecular hydrogen has a molecular weight of 321.51 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine;molecular hydrogen is sourced from PubChem (CID 145047906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).