4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine

C11H18N4O — CID 14174124

IUPAC4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine
SMILESNc1cnccc1NCCN1CCOCC1
InChIInChI=1S/C11H18N4O/c12-10-9-13-2-1-11(10)14-3-4-15-5-7-16-8-6-15/h1-2,9H,3-8,12H2,(H,13,14)
InChIKeyMJRBSCNJGKZPSX-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.41
Rot. Bonds4

About 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine

4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine (PubChem CID 14174124) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine
PubChem CID14174124
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine
SMILESNc1cnccc1NCCN1CCOCC1
InChIInChI=1S/C11H18N4O/c12-10-9-13-2-1-11(10)14-3-4-15-5-7-16-8-6-15/h1-2,9H,3-8,12H2,(H,13,14)
InChIKeyMJRBSCNJGKZPSX-UHFFFAOYSA-N
XLogP0.41
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine (CID 14174124) is 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine is Nc1cnccc1NCCN1CCOCC1.
What is the InChIKey of 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine?
The InChIKey is MJRBSCNJGKZPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-10-9-13-2-1-11(10)14-3-4-15-5-7-16-8-6-15/h1-2,9H,3-8,12H2,(H,13,14).
What are the key properties of 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine?
4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine has a molecular weight of 222.29 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine is sourced from PubChem (CID 14174124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).