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

C19H33N3O — CID 145047772

IUPACN-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1ccnn1C1CCC2(CC1)CC(C)(C)CO2
InChIInChI=1S/C19H33N3O/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
InChIKeyYVQURSJUXWHTSY-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.03
Rot. Bonds5

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

N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine (PubChem CID 145047772) has the molecular formula C19H33N3O and a molecular weight of 319.49 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 Properties

Compound NameN-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine
PubChem CID145047772
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC NameN-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1ccnn1C1CCC2(CC1)CC(C)(C)CO2
InChIInChI=1S/C19H33N3O/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
InChIKeyYVQURSJUXWHTSY-UHFFFAOYSA-N
XLogP4.03
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.03
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-methylpropan-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

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?
The IUPAC name of N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine (CID 145047772) is N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-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-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine is CCCN(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-methylpropan-1-amine?
The InChIKey is YVQURSJUXWHTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/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.
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?
N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylpropan-1-amine has a molecular weight of 319.49 g/mol, XLogP of 4.03, 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 is sourced from PubChem (CID 145047772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).