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

C20H37ClN4O — CID 90460590

IUPACN'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCNCCN(C)Cc1cn(C)nc1C1CCC2(CC1)CC(C)(C)CO2.Cl
InChIInChI=1S/C20H36N4O.ClH/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;1H
InChIKeyMQVBOSVSHLZSPO-UHFFFAOYSA-N
MW385.00 g/mol
LogP3.34
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;hydrochloride

N'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride (PubChem CID 90460590) has the molecular formula C20H37ClN4O and a molecular weight of 385.00 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;hydrochloride.

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;hydrochloride
PubChem CID90460590
Molecular FormulaC20H37ClN4O
Molecular Weight385.00 g/mol
Exact Mass384.27
IUPAC NameN'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCNCCN(C)Cc1cn(C)nc1C1CCC2(CC1)CC(C)(C)CO2.Cl
InChIInChI=1S/C20H36N4O.ClH/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;1H
InChIKeyMQVBOSVSHLZSPO-UHFFFAOYSA-N
XLogP3.34
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.00
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N'-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 90460169
GSK3368715 (hydrochloride)
CID 90462879
[2-[[5-(3,3-Dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl-methylamino]ethylamino] 2,2,2-trifluoroacetate
CID 90460155
N'-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 118674240
N'-[[5-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 175809574
tert-butyl N-(2-[[(5-[3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl]-1-methyl-1H-pyrazol-4-yl)methyl](methyl)amino]ethyl)-N-methylcarbamate
CID 90460207
2-[[3-(3,3-Dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl-methylamino]ethyl-methylcarbamic acid
CID 90460258
2-[[3-(3,3-Dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl-methylamino]propylcarbamic acid
CID 90460260
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
tert-butyl N-[2-[[3-(1,1-dimethyl-2-oxaspiro[4.5]decan-8-yl)-1-[(2R)-oxan-2-yl]pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate
CID 90460899
(R/S) tert-butyl N-(2-[[(3-[1,1-dimethyl-2-oxaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)-1H-pyrazol-4-yl)methyl](methyl)amino]ethyl)-N-methylcarbamate
CID 90460900
tert-butyl N-[2-[[4-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-[(2R)-oxan-2-yl]pyrazol-3-yl]methyl-methylamino]ethyl]-N-methylcarbamate
CID 90460908

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;hydrochloride?
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;hydrochloride (CID 90460590) is N'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride.
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;hydrochloride?
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;hydrochloride is CNCCN(C)Cc1cn(C)nc1C1CCC2(CC1)CC(C)(C)CO2.Cl.
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;hydrochloride?
The InChIKey is MQVBOSVSHLZSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O.ClH/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;1H.
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;hydrochloride?
N'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride has a molecular weight of 385.00 g/mol, XLogP of 3.34, 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;hydrochloride is sourced from PubChem (CID 90460590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).