5-N-methoxy-5-N-(2-methylpropyl)pyridine-2,5-diamine

C10H17N3O — CID 87841312

IUPAC5-N-methoxy-5-N-(2-methylpropyl)pyridine-2,5-diamine
SMILESCON(CC(C)C)c1ccc(N)nc1
InChIInChI=1S/C10H17N3O/c1-8(2)7-13(14-3)9-4-5-10(11)12-6-9/h4-6,8H,7H2,1-3H3,(H2,11,12)
InChIKeyMAZAHXMXABXPKI-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.69
Rot. Bonds4

About 5-N-methoxy-5-N-(2-methylpropyl)pyridine-2,5-diamine

5-N-methoxy-5-N-(2-methylpropyl)pyridine-2,5-diamine (PubChem CID 87841312) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-N-methoxy-5-N-(2-methylpropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-methoxy-5-N-(2-methylpropyl)pyridine-2,5-diamine
PubChem CID87841312
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-N-methoxy-5-N-(2-methylpropyl)pyridine-2,5-diamine
SMILESCON(CC(C)C)c1ccc(N)nc1
InChIInChI=1S/C10H17N3O/c1-8(2)7-13(14-3)9-4-5-10(11)12-6-9/h4-6,8H,7H2,1-3H3,(H2,11,12)
InChIKeyMAZAHXMXABXPKI-UHFFFAOYSA-N
XLogP1.69
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-methoxy-5-N-(2-methylpropyl)pyridine-2,5-diamine?
The IUPAC name of 5-N-methoxy-5-N-(2-methylpropyl)pyridine-2,5-diamine (CID 87841312) is 5-N-methoxy-5-N-(2-methylpropyl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-methoxy-5-N-(2-methylpropyl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-methoxy-5-N-(2-methylpropyl)pyridine-2,5-diamine is CON(CC(C)C)c1ccc(N)nc1.
What is the InChIKey of 5-N-methoxy-5-N-(2-methylpropyl)pyridine-2,5-diamine?
The InChIKey is MAZAHXMXABXPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)7-13(14-3)9-4-5-10(11)12-6-9/h4-6,8H,7H2,1-3H3,(H2,11,12).
What are the key properties of 5-N-methoxy-5-N-(2-methylpropyl)pyridine-2,5-diamine?
5-N-methoxy-5-N-(2-methylpropyl)pyridine-2,5-diamine has a molecular weight of 195.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methoxy-5-N-(2-methylpropyl)pyridine-2,5-diamine is sourced from PubChem (CID 87841312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).