3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine

C10H17N3O — CID 104758771

IUPAC3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine
SMILESCC(C)OCCNc1cccnc1N
InChIInChI=1S/C10H17N3O/c1-8(2)14-7-6-12-9-4-3-5-13-10(9)11/h3-5,8,12H,6-7H2,1-2H3,(H2,11,13)
InChIKeyZETOQCLXFYVCCC-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.50
Rot. Bonds5

About 3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine

3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine (PubChem CID 104758771) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine
PubChem CID104758771
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine
SMILESCC(C)OCCNc1cccnc1N
InChIInChI=1S/C10H17N3O/c1-8(2)14-7-6-12-9-4-3-5-13-10(9)11/h3-5,8,12H,6-7H2,1-2H3,(H2,11,13)
InChIKeyZETOQCLXFYVCCC-UHFFFAOYSA-N
XLogP1.50
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine
CID 104540211
3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine
CID 104540004
3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 91315804
3-chloro-1-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 104834865
3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine
CID 104540407
3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine
CID 106394504
2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol
CID 106308989
3-propan-2-yloxy-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 113450392
3-N-propan-2-ylpyridine-2,3-diamine
CID 58213244
3-N-(2,2-difluoroethyl)pyridine-2,3-diamine
CID 104540629
2-(2-propan-2-yloxyethylamino)benzamide
CID 141361883
2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide
CID 106334140

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine (CID 104758771) is 3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine is CC(C)OCCNc1cccnc1N.
What is the InChIKey of 3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine?
The InChIKey is ZETOQCLXFYVCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)14-7-6-12-9-4-3-5-13-10(9)11/h3-5,8,12H,6-7H2,1-2H3,(H2,11,13).
What are the key properties of 3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine?
3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine has a molecular weight of 195.27 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine is sourced from PubChem (CID 104758771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).