N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine

C12H21N3O — CID 82893709

IUPACN'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cc(OC)cc(C)n1
InChIInChI=1S/C12H21N3O/c1-10-7-12(16-4)8-11(14-10)9-15(3)6-5-13-2/h7-8,13H,5-6,9H2,1-4H3
InChIKeyLHLZXGXDGVUQNX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.05
Rot. Bonds6

About N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine

N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 82893709) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID82893709
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cc(OC)cc(C)n1
InChIInChI=1S/C12H21N3O/c1-10-7-12(16-4)8-11(14-10)9-15(3)6-5-13-2/h7-8,13H,5-6,9H2,1-4H3
InChIKeyLHLZXGXDGVUQNX-UHFFFAOYSA-N
XLogP1.05
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine (CID 82893709) is N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1cc(OC)cc(C)n1.
What is the InChIKey of N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is LHLZXGXDGVUQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-7-12(16-4)8-11(14-10)9-15(3)6-5-13-2/h7-8,13H,5-6,9H2,1-4H3.
What are the key properties of N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 82893709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).