N'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C20H36N4O — CID 90460591

IUPACN'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cn(C)nc1C1CCC2(CC1)CC(C)(C)CO2
InChIInChI=1S/C20H36N4O/c1-19(2)14-20(25-15-19)8-6-16(7-9-20)18-17(13-24(5)22-18)12-23(4)11-10-21-3/h13,16,21H,6-12,14-15H2,1-5H3
InChIKeyRIHGWJJQCOUJNW-UHFFFAOYSA-N
MW348.54 g/mol
LogP2.91
Rot. Bonds6

About N'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 90460591) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol. Its IUPAC name is N'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID90460591
Molecular FormulaC20H36N4O
Molecular Weight348.54 g/mol
Exact Mass348.29
IUPAC NameN'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cn(C)nc1C1CCC2(CC1)CC(C)(C)CO2
InChIInChI=1S/C20H36N4O/c1-19(2)14-20(25-15-19)8-6-16(7-9-20)18-17(13-24(5)22-18)12-23(4)11-10-21-3/h13,16,21H,6-12,14-15H2,1-5H3
InChIKeyRIHGWJJQCOUJNW-UHFFFAOYSA-N
XLogP2.91
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 90460591) is N'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-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)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1cn(C)nc1C1CCC2(CC1)CC(C)(C)CO2.
What is the InChIKey of N'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is RIHGWJJQCOUJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O/c1-19(2)14-20(25-15-19)8-6-16(7-9-20)18-17(13-24(5)22-18)12-23(4)11-10-21-3/h13,16,21H,6-12,14-15H2,1-5H3.
What are the key properties of N'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 348.54 g/mol, XLogP of 2.91, 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)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 90460591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).