2-(3-methoxypropyl)-2-N-methyl-1H-pyridine-2,5-diamine

C10H19N3O — CID 152574327

IUPAC2-(3-methoxypropyl)-2-N-methyl-1H-pyridine-2,5-diamine
SMILESCNC1(CCCOC)C=CC(N)=CN1
InChIInChI=1S/C10H19N3O/c1-12-10(5-3-7-14-2)6-4-9(11)8-13-10/h4,6,8,12-13H,3,5,7,11H2,1-2H3
InChIKeyYSDOEFHZEFFMLZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.29
Rot. Bonds5

About 2-(3-methoxypropyl)-2-N-methyl-1H-pyridine-2,5-diamine

2-(3-methoxypropyl)-2-N-methyl-1H-pyridine-2,5-diamine (PubChem CID 152574327) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-2-N-methyl-1H-pyridine-2,5-diamine.

Molecular Properties

Compound Name2-(3-methoxypropyl)-2-N-methyl-1H-pyridine-2,5-diamine
PubChem CID152574327
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(3-methoxypropyl)-2-N-methyl-1H-pyridine-2,5-diamine
SMILESCNC1(CCCOC)C=CC(N)=CN1
InChIInChI=1S/C10H19N3O/c1-12-10(5-3-7-14-2)6-4-9(11)8-13-10/h4,6,8,12-13H,3,5,7,11H2,1-2H3
InChIKeyYSDOEFHZEFFMLZ-UHFFFAOYSA-N
XLogP0.29
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine
CID 67535619
2-(2-methoxyethyl)-1H-pyridine-2,5-diamine
CID 67537038
2-(2-methoxyethyl)-1H-pyridine-2,4-diamine
CID 68547041
2-(oxan-4-yl)-1H-pyridine-2,5-diamine
CID 142494340
2-(2-methoxyethyl)-2-N-methyl-1H-pyridine-2,4,5-triamine
CID 153929882
2-methyl-2-N-(oxan-4-yl)-1H-pyridine-2,5-diamine
CID 153958340
2-(2-methoxyethyl)-2-N-methyl-1H-pyridine-2,5-diamine
CID 154124773
2-(3-methoxypropyl)-1H-pyridine-2,5-diamine
CID 154193878
2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine
CID 154455033
2-(1-methoxypropan-2-yl)-1H-pyridine-2,3-diamine
CID 154455038
2-(2-methoxyethyl)-1H-pyridine-2,3-diamine
CID 175105703

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-2-N-methyl-1H-pyridine-2,5-diamine?
The IUPAC name of 2-(3-methoxypropyl)-2-N-methyl-1H-pyridine-2,5-diamine (CID 152574327) is 2-(3-methoxypropyl)-2-N-methyl-1H-pyridine-2,5-diamine.
What is the SMILES notation for 2-(3-methoxypropyl)-2-N-methyl-1H-pyridine-2,5-diamine?
The canonical SMILES for 2-(3-methoxypropyl)-2-N-methyl-1H-pyridine-2,5-diamine is CNC1(CCCOC)C=CC(N)=CN1.
What is the InChIKey of 2-(3-methoxypropyl)-2-N-methyl-1H-pyridine-2,5-diamine?
The InChIKey is YSDOEFHZEFFMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-12-10(5-3-7-14-2)6-4-9(11)8-13-10/h4,6,8,12-13H,3,5,7,11H2,1-2H3.
What are the key properties of 2-(3-methoxypropyl)-2-N-methyl-1H-pyridine-2,5-diamine?
2-(3-methoxypropyl)-2-N-methyl-1H-pyridine-2,5-diamine has a molecular weight of 197.28 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-2-N-methyl-1H-pyridine-2,5-diamine is sourced from PubChem (CID 152574327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).