N'-[[3-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C23H40N4O2 — CID 139451405

IUPACN'-[[3-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCC(C)(C)CO3)COCC2
InChIInChI=1S/C23H40N4O2/c1-22(2)9-10-23(29-17-22)7-5-18(6-8-23)21-19(15-26(4)12-11-24-3)25-27-13-14-28-16-20(21)27/h18,24H,5-17H2,1-4H3
InChIKeyWPNZODQHXNZOGD-UHFFFAOYSA-N
MW404.60 g/mol
LogP3.30
Rot. Bonds6

About N'-[[3-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[3-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 139451405) has the molecular formula C23H40N4O2 and a molecular weight of 404.60 g/mol. Its IUPAC name is N'-[[3-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-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-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID139451405
Molecular FormulaC23H40N4O2
Molecular Weight404.60 g/mol
Exact Mass404.32
IUPAC NameN'-[[3-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCC(C)(C)CO3)COCC2
InChIInChI=1S/C23H40N4O2/c1-22(2)9-10-23(29-17-22)7-5-18(6-8-23)21-19(15-26(4)12-11-24-3)25-27-13-14-28-16-20(21)27/h18,24H,5-17H2,1-4H3
InChIKeyWPNZODQHXNZOGD-UHFFFAOYSA-N
XLogP3.30
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N'-[[3-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-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-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-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-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 139451405) is N'-[[3-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-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-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-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-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCC(C)(C)CO3)COCC2.
What is the InChIKey of N'-[[3-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is WPNZODQHXNZOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4O2/c1-22(2)9-10-23(29-17-22)7-5-18(6-8-23)21-19(15-26(4)12-11-24-3)25-27-13-14-28-16-20(21)27/h18,24H,5-17H2,1-4H3.
What are the key properties of N'-[[3-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[3-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-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 404.60 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-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 139451405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).