N'-[[3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C21H38N4O3 — CID 139451467

IUPACN'-[[3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1nn2c(c1C1CCC(COC)(COC)CC1)COCC2
InChIInChI=1S/C21H38N4O3/c1-22-9-10-24(2)13-18-20(19-14-28-12-11-25(19)23-18)17-5-7-21(8-6-17,15-26-3)16-27-4/h17,22H,5-16H2,1-4H3
InChIKeyZEPXYTXUMSAVLI-UHFFFAOYSA-N
MW394.56 g/mol
LogP2.00
Rot. Bonds10

About N'-[[3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 139451467) has the molecular formula C21H38N4O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is N'-[[3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID139451467
Molecular FormulaC21H38N4O3
Molecular Weight394.56 g/mol
Exact Mass394.29
IUPAC NameN'-[[3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1nn2c(c1C1CCC(COC)(COC)CC1)COCC2
InChIInChI=1S/C21H38N4O3/c1-22-9-10-24(2)13-18-20(19-14-28-12-11-25(19)23-18)17-5-7-21(8-6-17,15-26-3)16-27-4/h17,22H,5-16H2,1-4H3
InChIKeyZEPXYTXUMSAVLI-UHFFFAOYSA-N
XLogP2.00
TPSA60.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N'-[[3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[[3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 139451467) is N'-[[3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1nn2c(c1C1CCC(COC)(COC)CC1)COCC2.
What is the InChIKey of N'-[[3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is ZEPXYTXUMSAVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O3/c1-22-9-10-24(2)13-18-20(19-14-28-12-11-25(19)23-18)17-5-7-21(8-6-17,15-26-3)16-27-4/h17,22H,5-16H2,1-4H3.
What are the key properties of N'-[[3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 394.56 g/mol, XLogP of 2.00, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 139451467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).