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

C20H35N3O — CID 153128827

IUPACN-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1ccnn1C1CCC2(CC1)CC(C)(C)CO2
InChIInChI=1S/C20H35N3O/c1-5-6-13-22(4)14-18-9-12-21-23(18)17-7-10-20(11-8-17)15-19(2,3)16-24-20/h9,12,17H,5-8,10-11,13-16H2,1-4H3
InChIKeyVWIGHTNILDOBLB-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.42
Rot. Bonds6

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

N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine (PubChem CID 153128827) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine
PubChem CID153128827
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC NameN-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1ccnn1C1CCC2(CC1)CC(C)(C)CO2
InChIInChI=1S/C20H35N3O/c1-5-6-13-22(4)14-18-9-12-21-23(18)17-7-10-20(11-8-17)15-19(2,3)16-24-20/h9,12,17H,5-8,10-11,13-16H2,1-4H3
InChIKeyVWIGHTNILDOBLB-UHFFFAOYSA-N
XLogP4.42
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.42
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-methylbutan-1-amine?
The IUPAC name of N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine (CID 153128827) is N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-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-methylbutan-1-amine?
The canonical SMILES for N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1ccnn1C1CCC2(CC1)CC(C)(C)CO2.
What is the InChIKey of N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is VWIGHTNILDOBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O/c1-5-6-13-22(4)14-18-9-12-21-23(18)17-7-10-20(11-8-17)15-19(2,3)16-24-20/h9,12,17H,5-8,10-11,13-16H2,1-4H3.
What are the key properties of N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine?
N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 333.52 g/mol, XLogP of 4.42, 6 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-methylbutan-1-amine is sourced from PubChem (CID 153128827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).