3-[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine

C22H38N4O — CID 139451442

IUPAC3-[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNCC(Cc1nn2c(c1C1CCC3(CC1)CC(C)(C)CO3)CCC2)NC
InChIInChI=1S/C22H38N4O/c1-21(2)14-22(27-15-21)9-7-16(8-10-22)20-18(12-17(24-4)13-23-3)25-26-11-5-6-19(20)26/h16-17,23-24H,5-15H2,1-4H3
InChIKeyUIRPGCFFXWMUOX-UHFFFAOYSA-N
MW374.57 g/mol
LogP3.02
Rot. Bonds6

About 3-[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine

3-[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 139451442) has the molecular formula C22H38N4O and a molecular weight of 374.57 g/mol. Its IUPAC name is 3-[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine
PubChem CID139451442
Molecular FormulaC22H38N4O
Molecular Weight374.57 g/mol
Exact Mass374.30
IUPAC Name3-[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNCC(Cc1nn2c(c1C1CCC3(CC1)CC(C)(C)CO3)CCC2)NC
InChIInChI=1S/C22H38N4O/c1-21(2)14-22(27-15-21)9-7-16(8-10-22)20-18(12-17(24-4)13-23-3)25-26-11-5-6-19(20)26/h16-17,23-24H,5-15H2,1-4H3
InChIKeyUIRPGCFFXWMUOX-UHFFFAOYSA-N
XLogP3.02
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

N'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 139456658
2-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl-methylamino]ethyl-methylcarbamic acid
CID 139451455
N'-[[3-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 158616916
2-ethyl-3-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;hydrochloride
CID 131726000
N'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 139456564
N'-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N,N'-dimethylmethanediamine
CID 131985938
N'-[[3-[4-[2-[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl]ethoxymethyl]-4-ethylcyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 139456709
2-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl-methylamino]ethyl N-methylcarbamate
CID 139451514
N'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 139456798
N'-[(3-cyclopentyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;N,N'-dimethyl-N'-[[3-(4-methyl-4-propoxycyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]ethane-1,2-diamine;N,N'-dimethyl-N'-[[3-(2-oxaspiro[3.5]nonan-7-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]ethane-1,2-diamine;N,N'-dimethyl-N'-[(3-spiro[4.5]decan-8-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]ethane-1,2-diamine;N'-[[3-(4-ethoxy-4-methylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N'-[[3-(4-methoxy-4-methylcyclohexyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine;1-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-azaspiro[4.5]decan-2-one
CID 158990170
2,2-dimethyl-3-[1-methyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]cyclohexyl]propan-1-ol
CID 139456841
[3-[4,4-bis(methoxymethyl)cyclohexyl]-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1-methylcyclobutyl)methanone
CID 165120917

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 3-[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine (CID 139451442) is 3-[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 3-[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 3-[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine is CNCC(Cc1nn2c(c1C1CCC3(CC1)CC(C)(C)CO3)CCC2)NC.
What is the InChIKey of 3-[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is UIRPGCFFXWMUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O/c1-21(2)14-22(27-15-21)9-7-16(8-10-22)20-18(12-17(24-4)13-23-3)25-26-11-5-6-19(20)26/h16-17,23-24H,5-15H2,1-4H3.
What are the key properties of 3-[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine?
3-[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 374.57 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 139451442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).