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

C22H38N4O — CID 139456658

IUPACN'-[[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
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CC(C)(C)CO3)CCC2
InChIInChI=1S/C22H38N4O/c1-21(2)15-22(27-16-21)9-7-17(8-10-22)20-18(14-25(4)13-11-23-3)24-26-12-5-6-19(20)26/h17,23H,5-16H2,1-4H3
InChIKeyOFEKHPYAEKGLKQ-UHFFFAOYSA-N
MW374.57 g/mol
LogP3.32
Rot. Bonds6

About 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

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 (PubChem CID 139456658) has the molecular formula C22H38N4O and a molecular weight of 374.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN'-[[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
PubChem CID139456658
Molecular FormulaC22H38N4O
Molecular Weight374.57 g/mol
Exact Mass374.30
IUPAC NameN'-[[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
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CC(C)(C)CO3)CCC2
InChIInChI=1S/C22H38N4O/c1-21(2)15-22(27-16-21)9-7-17(8-10-22)20-18(14-25(4)13-11-23-3)24-26-12-5-6-19(20)26/h17,23H,5-16H2,1-4H3
InChIKeyOFEKHPYAEKGLKQ-UHFFFAOYSA-N
XLogP3.32
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
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
8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one
CID 139451439
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'-[[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-[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
2,2-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
N'-[[3-[4-ethyl-4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 161224755
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
N'-[[4-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 90461161

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CC(C)(C)CO3)CCC2.
What is the InChIKey of 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?
The InChIKey is OFEKHPYAEKGLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O/c1-21(2)15-22(27-16-21)9-7-17(8-10-22)20-18(14-25(4)13-11-23-3)24-26-12-5-6-19(20)26/h17,23H,5-16H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 374.57 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139456658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).