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

C17H30N4O — CID 139456562

IUPACN'-[(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1nn2c(c1C1CCCCC1)COCC2
InChIInChI=1S/C17H30N4O/c1-18-8-9-20(2)12-15-17(14-6-4-3-5-7-14)16-13-22-11-10-21(16)19-15/h14,18H,3-13H2,1-2H3
InChIKeyXGZCXJQJIXMHPO-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.11
Rot. Bonds6

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

N'-[(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 139456562) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N'-[(3-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-cyclohexyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID139456562
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN'-[(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1nn2c(c1C1CCCCC1)COCC2
InChIInChI=1S/C17H30N4O/c1-18-8-9-20(2)12-15-17(14-6-4-3-5-7-14)16-13-22-11-10-21(16)19-15/h14,18H,3-13H2,1-2H3
InChIKeyXGZCXJQJIXMHPO-UHFFFAOYSA-N
XLogP2.11
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-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-cyclohexyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine (CID 139456562) is N'-[(3-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-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-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(c1C1CCCCC1)COCC2.
What is the InChIKey of N'-[(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is XGZCXJQJIXMHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-18-8-9-20(2)12-15-17(14-6-4-3-5-7-14)16-13-22-11-10-21(16)19-15/h14,18H,3-13H2,1-2H3.
What are the key properties of N'-[(3-cyclohexyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[(3-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 306.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-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 139456562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).