5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine

C12H20N4O — CID 113423694

IUPAC5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine
SMILESNc1cncc(NCCCN2CCOCC2)c1
InChIInChI=1S/C12H20N4O/c13-11-8-12(10-14-9-11)15-2-1-3-16-4-6-17-7-5-16/h8-10,15H,1-7,13H2
InChIKeyOCCYOJYVFAZHQF-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.80
Rot. Bonds5

About 5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine

5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine (PubChem CID 113423694) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine
PubChem CID113423694
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine
SMILESNc1cncc(NCCCN2CCOCC2)c1
InChIInChI=1S/C12H20N4O/c13-11-8-12(10-14-9-11)15-2-1-3-16-4-6-17-7-5-16/h8-10,15H,1-7,13H2
InChIKeyOCCYOJYVFAZHQF-UHFFFAOYSA-N
XLogP0.80
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
3-N-methyl-5-N-(2-morpholin-4-ylethyl)pyridine-3,5-diamine
CID 104532718
2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile
CID 115499071
4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine
CID 55091459
4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine
CID 114987621
5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 80771545
3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide
CID 104533999
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910
3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine
CID 102755807
2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine
CID 90022894
N-cycloheptyl-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 102253634
5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66341208

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine?
The IUPAC name of 5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine (CID 113423694) is 5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine.
What is the SMILES notation for 5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine?
The canonical SMILES for 5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine is Nc1cncc(NCCCN2CCOCC2)c1.
What is the InChIKey of 5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine?
The InChIKey is OCCYOJYVFAZHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-11-8-12(10-14-9-11)15-2-1-3-16-4-6-17-7-5-16/h8-10,15H,1-7,13H2.
What are the key properties of 5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine?
5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine has a molecular weight of 236.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine is sourced from PubChem (CID 113423694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).