N'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C22H40N4O3 — CID 118971580

IUPACN'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC(COC)(COC2CCOCC2)CC1
InChIInChI=1S/C22H40N4O3/c1-23-10-11-26(2)15-19-14-24-25-21(19)18-4-8-22(9-5-18,16-27-3)17-29-20-6-12-28-13-7-20/h14,18,20,23H,4-13,15-17H2,1-3H3,(H,24,25)
InChIKeyDHONIEJSRITMAA-UHFFFAOYSA-N
MW408.59 g/mol
LogP2.55
Rot. Bonds11

About N'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 118971580) has the molecular formula C22H40N4O3 and a molecular weight of 408.59 g/mol. Its IUPAC name is N'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID118971580
Molecular FormulaC22H40N4O3
Molecular Weight408.59 g/mol
Exact Mass408.31
IUPAC NameN'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC(COC)(COC2CCOCC2)CC1
InChIInChI=1S/C22H40N4O3/c1-23-10-11-26(2)15-19-14-24-25-21(19)18-4-8-22(9-5-18,16-27-3)17-29-20-6-12-28-13-7-20/h14,18,20,23H,4-13,15-17H2,1-3H3,(H,24,25)
InChIKeyDHONIEJSRITMAA-UHFFFAOYSA-N
XLogP2.55
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 118688387
N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 118685683
N'-[[5-(1,1-dimethyl-2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 90461186
N,N'-dimethyl-N'-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 118685680
N,N'-dimethyl-N'-[(5-spiro[5.5]undecan-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 118685676
N,N'-dimethyl-N'-[[5-[4-[3-methylbutyl(oxan-4-ylmethyl)amino]cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 155129880
3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 118688358
N'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;formaldehyde;2-methoxy-N-methylethanamine
CID 145047902
(1S)-N-(2-methoxyethyl)-2,2-dimethyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexane-1-carboxamide
CID 152875041
N,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 118970785
(2S,5R)-2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]spiro[5.5]undecan-5-ol
CID 118674247
8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one
CID 118688357

Frequently Asked Questions

What is the IUPAC name of N'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 118971580) is N'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1cn[nH]c1C1CCC(COC)(COC2CCOCC2)CC1.
What is the InChIKey of N'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is DHONIEJSRITMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O3/c1-23-10-11-26(2)15-19-14-24-25-21(19)18-4-8-22(9-5-18,16-27-3)17-29-20-6-12-28-13-7-20/h14,18,20,23H,4-13,15-17H2,1-3H3,(H,24,25).
What are the key properties of N'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 408.59 g/mol, XLogP of 2.55, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 118971580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).