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

C18H31N3O — CID 158747061

IUPACN-methyl-N-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1ccnn1C1CCC2(CCCO2)CC1
InChIInChI=1S/C18H31N3O/c1-3-4-13-20(2)15-17-8-12-19-21(17)16-6-10-18(11-7-16)9-5-14-22-18/h8,12,16H,3-7,9-11,13-15H2,1-2H3
InChIKeyIMZZQGUPVNWLAF-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.78
Rot. Bonds6

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

N-methyl-N-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]butan-1-amine (PubChem CID 158747061) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is N-methyl-N-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]butan-1-amine
PubChem CID158747061
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC NameN-methyl-N-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1ccnn1C1CCC2(CCCO2)CC1
InChIInChI=1S/C18H31N3O/c1-3-4-13-20(2)15-17-8-12-19-21(17)16-6-10-18(11-7-16)9-5-14-22-18/h8,12,16H,3-7,9-11,13-15H2,1-2H3
InChIKeyIMZZQGUPVNWLAF-UHFFFAOYSA-N
XLogP3.78
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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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
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine
CID 164639531
1-[[1-(2-Methoxyethyl)cyclohexyl]methyl]-5-methylpyrazole
CID 89498102
1-((1-methoxycyclohexyl)methyl)-5-methyl-1H-pyrazole
CID 89498212
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
N'-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 117610553

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]butan-1-amine?
The IUPAC name of N-methyl-N-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]butan-1-amine (CID 158747061) is N-methyl-N-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]butan-1-amine is CCCCN(C)Cc1ccnn1C1CCC2(CCCO2)CC1.
What is the InChIKey of N-methyl-N-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]butan-1-amine?
The InChIKey is IMZZQGUPVNWLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-3-4-13-20(2)15-17-8-12-19-21(17)16-6-10-18(11-7-16)9-5-14-22-18/h8,12,16H,3-7,9-11,13-15H2,1-2H3.
What are the key properties of N-methyl-N-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]butan-1-amine?
N-methyl-N-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]butan-1-amine has a molecular weight of 305.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]butan-1-amine is sourced from PubChem (CID 158747061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).