N,N-diethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride

C14H26Cl3N3O — CID 3070865

IUPACN,N-diethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride
SMILESCCN(CC)CCN1CC(C)Oc2cccnc21.Cl.Cl.Cl
InChIInChI=1S/C14H23N3O.3ClH/c1-4-16(5-2)9-10-17-11-12(3)18-13-7-6-8-15-14(13)17;;;/h6-8,12H,4-5,9-11H2,1-3H3;3*1H
InChIKeyOYZIKKSECIZART-UHFFFAOYSA-N
MW358.74 g/mol
LogP3.28
Rot. Bonds5

About N,N-diethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride

N,N-diethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride (PubChem CID 3070865) has the molecular formula C14H26Cl3N3O and a molecular weight of 358.74 g/mol. Its IUPAC name is N,N-diethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride
PubChem CID3070865
Molecular FormulaC14H26Cl3N3O
Molecular Weight358.74 g/mol
Exact Mass357.11
IUPAC NameN,N-diethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride
SMILESCCN(CC)CCN1CC(C)Oc2cccnc21.Cl.Cl.Cl
InChIInChI=1S/C14H23N3O.3ClH/c1-4-16(5-2)9-10-17-11-12(3)18-13-7-6-8-15-14(13)17;;;/h6-8,12H,4-5,9-11H2,1-3H3;3*1H
InChIKeyOYZIKKSECIZART-UHFFFAOYSA-N
XLogP3.28
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.74
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride?
The IUPAC name of N,N-diethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride (CID 3070865) is N,N-diethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride.
What is the SMILES notation for N,N-diethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride?
The canonical SMILES for N,N-diethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride is CCN(CC)CCN1CC(C)Oc2cccnc21.Cl.Cl.Cl.
What is the InChIKey of N,N-diethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride?
The InChIKey is OYZIKKSECIZART-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.3ClH/c1-4-16(5-2)9-10-17-11-12(3)18-13-7-6-8-15-14(13)17;;;/h6-8,12H,4-5,9-11H2,1-3H3;3*1H.
What are the key properties of N,N-diethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride?
N,N-diethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride has a molecular weight of 358.74 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride is sourced from PubChem (CID 3070865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).