N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,2,2-trimethylpropan-1-amine

C21H37N3O — CID 118963075

IUPACN-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,2,2-trimethylpropan-1-amine
SMILESCN(Cc1ccnn1C1CCC2(CC1)CC(C)(C)CO2)CC(C)(C)C
InChIInChI=1S/C21H37N3O/c1-19(2,3)15-23(6)13-18-9-12-22-24(18)17-7-10-21(11-8-17)14-20(4,5)16-25-21/h9,12,17H,7-8,10-11,13-16H2,1-6H3
InChIKeyJAHKMMOYSJKOCZ-UHFFFAOYSA-N
MW347.55 g/mol
LogP4.66
Rot. Bonds4

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

N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,2,2-trimethylpropan-1-amine (PubChem CID 118963075) has the molecular formula C21H37N3O and a molecular weight of 347.55 g/mol. Its IUPAC name is N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,2,2-trimethylpropan-1-amine
PubChem CID118963075
Molecular FormulaC21H37N3O
Molecular Weight347.55 g/mol
Exact Mass347.29
IUPAC NameN-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,2,2-trimethylpropan-1-amine
SMILESCN(Cc1ccnn1C1CCC2(CC1)CC(C)(C)CO2)CC(C)(C)C
InChIInChI=1S/C21H37N3O/c1-19(2,3)15-23(6)13-18-9-12-22-24(18)17-7-10-21(11-8-17)14-20(4,5)16-25-21/h9,12,17H,7-8,10-11,13-16H2,1-6H3
InChIKeyJAHKMMOYSJKOCZ-UHFFFAOYSA-N
XLogP4.66
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,2,2-trimethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-[[2-(3,3-Dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl-methylamino]ethyl-methylcarbamic acid
CID 118963082

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,2,2-trimethylpropan-1-amine?
The IUPAC name of N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,2,2-trimethylpropan-1-amine (CID 118963075) is N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,2,2-trimethylpropan-1-amine is CN(Cc1ccnn1C1CCC2(CC1)CC(C)(C)CO2)CC(C)(C)C.
What is the InChIKey of N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,2,2-trimethylpropan-1-amine?
The InChIKey is JAHKMMOYSJKOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O/c1-19(2,3)15-23(6)13-18-9-12-22-24(18)17-7-10-21(11-8-17)14-20(4,5)16-25-21/h9,12,17H,7-8,10-11,13-16H2,1-6H3.
What are the key properties of N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,2,2-trimethylpropan-1-amine?
N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,2,2-trimethylpropan-1-amine has a molecular weight of 347.55 g/mol, XLogP of 4.66, 4 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,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 118963075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).