N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C14H25N3O3 — CID 103173267

IUPACN'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCNCCN(C)Cc1nccc(OC)c1OC
InChIInChI=1S/C14H25N3O3/c1-17(9-7-15-8-10-18-2)11-12-14(20-4)13(19-3)5-6-16-12/h5-6,15H,7-11H2,1-4H3
InChIKeyUPPMTLQTRNOOLX-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.77
Rot. Bonds10

About N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 103173267) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID103173267
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCNCCN(C)Cc1nccc(OC)c1OC
InChIInChI=1S/C14H25N3O3/c1-17(9-7-15-8-10-18-2)11-12-14(20-4)13(19-3)5-6-16-12/h5-6,15H,7-11H2,1-4H3
InChIKeyUPPMTLQTRNOOLX-UHFFFAOYSA-N
XLogP0.77
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-N-methylbutane-1,3-diamine
CID 103174073
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline
CID 103173297
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045547
N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 103173261
3-[(3,4-dimethoxy-2-pyridinyl)methyl-ethylamino]propanoic acid
CID 103173485
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 103172731
N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55070478
N-(2-methoxyethyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62576056
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
N-(2-methoxyethyl)-N'-methyl-N'-(quinoxalin-2-ylmethyl)ethane-1,2-diamine
CID 107355866
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 103172410

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 103173267) is N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCNCCN(C)Cc1nccc(OC)c1OC.
What is the InChIKey of N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is UPPMTLQTRNOOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-17(9-7-15-8-10-18-2)11-12-14(20-4)13(19-3)5-6-16-12/h5-6,15H,7-11H2,1-4H3.
What are the key properties of N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 283.37 g/mol, XLogP of 0.77, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103173267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).