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

C9H17N3O — CID 154193878

IUPAC2-(3-methoxypropyl)-1H-pyridine-2,5-diamine
SMILESCOCCCC1(N)C=CC(N)=CN1
InChIInChI=1S/C9H17N3O/c1-13-6-2-4-9(11)5-3-8(10)7-12-9/h3,5,7,12H,2,4,6,10-11H2,1H3
InChIKeyOIUFWPBAXDDPHK-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.03
Rot. Bonds4

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

2-(3-methoxypropyl)-1H-pyridine-2,5-diamine (PubChem CID 154193878) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-1H-pyridine-2,5-diamine.

Molecular Properties

Compound Name2-(3-methoxypropyl)-1H-pyridine-2,5-diamine
PubChem CID154193878
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-(3-methoxypropyl)-1H-pyridine-2,5-diamine
SMILESCOCCCC1(N)C=CC(N)=CN1
InChIInChI=1S/C9H17N3O/c1-13-6-2-4-9(11)5-3-8(10)7-12-9/h3,5,7,12H,2,4,6,10-11H2,1H3
InChIKeyOIUFWPBAXDDPHK-UHFFFAOYSA-N
XLogP0.03
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.03
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-1H-pyridine-2,5-diamine?
The IUPAC name of 2-(3-methoxypropyl)-1H-pyridine-2,5-diamine (CID 154193878) is 2-(3-methoxypropyl)-1H-pyridine-2,5-diamine.
What is the SMILES notation for 2-(3-methoxypropyl)-1H-pyridine-2,5-diamine?
The canonical SMILES for 2-(3-methoxypropyl)-1H-pyridine-2,5-diamine is COCCCC1(N)C=CC(N)=CN1.
What is the InChIKey of 2-(3-methoxypropyl)-1H-pyridine-2,5-diamine?
The InChIKey is OIUFWPBAXDDPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-13-6-2-4-9(11)5-3-8(10)7-12-9/h3,5,7,12H,2,4,6,10-11H2,1H3.
What are the key properties of 2-(3-methoxypropyl)-1H-pyridine-2,5-diamine?
2-(3-methoxypropyl)-1H-pyridine-2,5-diamine has a molecular weight of 183.25 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-1H-pyridine-2,5-diamine is sourced from PubChem (CID 154193878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).