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

C12H22Cl3N3O — CID 3070863

IUPACN,N-dimethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride
SMILESCC1CN(CCN(C)C)c2ncccc2O1.Cl.Cl.Cl
InChIInChI=1S/C12H19N3O.3ClH/c1-10-9-15(8-7-14(2)3)12-11(16-10)5-4-6-13-12;;;/h4-6,10H,7-9H2,1-3H3;3*1H
InChIKeyDNWCMLKOGCGYHB-UHFFFAOYSA-N
MW330.69 g/mol
LogP2.50
Rot. Bonds3

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

N,N-dimethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride (PubChem CID 3070863) has the molecular formula C12H22Cl3N3O and a molecular weight of 330.69 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride
PubChem CID3070863
Molecular FormulaC12H22Cl3N3O
Molecular Weight330.69 g/mol
Exact Mass329.08
IUPAC NameN,N-dimethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride
SMILESCC1CN(CCN(C)C)c2ncccc2O1.Cl.Cl.Cl
InChIInChI=1S/C12H19N3O.3ClH/c1-10-9-15(8-7-14(2)3)12-11(16-10)5-4-6-13-12;;;/h4-6,10H,7-9H2,1-3H3;3*1H
InChIKeyDNWCMLKOGCGYHB-UHFFFAOYSA-N
XLogP2.50
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.69
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride?
The IUPAC name of N,N-dimethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride (CID 3070863) is N,N-dimethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride.
What is the SMILES notation for N,N-dimethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride?
The canonical SMILES for N,N-dimethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride is CC1CN(CCN(C)C)c2ncccc2O1.Cl.Cl.Cl.
What is the InChIKey of N,N-dimethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride?
The InChIKey is DNWCMLKOGCGYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.3ClH/c1-10-9-15(8-7-14(2)3)12-11(16-10)5-4-6-13-12;;;/h4-6,10H,7-9H2,1-3H3;3*1H.
What are the key properties of N,N-dimethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride?
N,N-dimethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride has a molecular weight of 330.69 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine;trihydrochloride is sourced from PubChem (CID 3070863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).