N'-[1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)ethenyl]-N,N'-dimethylethane-1,2-diamine

C12H21N3O — CID 170615124

IUPACN'-[1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)ethenyl]-N,N'-dimethylethane-1,2-diamine
SMILESC=CC1=C(C(=C)N(C)CCNC)OCCN1
InChIInChI=1S/C12H21N3O/c1-5-11-12(16-9-7-14-11)10(2)15(4)8-6-13-3/h5,13-14H,1-2,6-9H2,3-4H3
InChIKeyCNSNKXCZJMORJS-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.67
Rot. Bonds6

About N'-[1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)ethenyl]-N,N'-dimethylethane-1,2-diamine

N'-[1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)ethenyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 170615124) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N'-[1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)ethenyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)ethenyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID170615124
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN'-[1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)ethenyl]-N,N'-dimethylethane-1,2-diamine
SMILESC=CC1=C(C(=C)N(C)CCNC)OCCN1
InChIInChI=1S/C12H21N3O/c1-5-11-12(16-9-7-14-11)10(2)15(4)8-6-13-3/h5,13-14H,1-2,6-9H2,3-4H3
InChIKeyCNSNKXCZJMORJS-UHFFFAOYSA-N
XLogP0.67
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)ethenyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)ethenyl]-N,N'-dimethylethane-1,2-diamine (CID 170615124) is N'-[1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)ethenyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)ethenyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)ethenyl]-N,N'-dimethylethane-1,2-diamine is C=CC1=C(C(=C)N(C)CCNC)OCCN1.
What is the InChIKey of N'-[1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)ethenyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is CNSNKXCZJMORJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-11-12(16-9-7-14-11)10(2)15(4)8-6-13-3/h5,13-14H,1-2,6-9H2,3-4H3.
What are the key properties of N'-[1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)ethenyl]-N,N'-dimethylethane-1,2-diamine?
N'-[1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)ethenyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 223.32 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(5-ethenyl-3,4-dihydro-2H-1,4-oxazin-6-yl)ethenyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 170615124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).