3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine

C13H21N3O — CID 104540407

IUPAC3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine
SMILESNc1ncccc1NCCOC1CCCCC1
InChIInChI=1S/C13H21N3O/c14-13-12(7-4-8-16-13)15-9-10-17-11-5-2-1-3-6-11/h4,7-8,11,15H,1-3,5-6,9-10H2,(H2,14,16)
InChIKeyMZKSJGOTRIMXJG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.42
Rot. Bonds5

About 3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine

3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine (PubChem CID 104540407) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine
PubChem CID104540407
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine
SMILESNc1ncccc1NCCOC1CCCCC1
InChIInChI=1S/C13H21N3O/c14-13-12(7-4-8-16-13)15-9-10-17-11-5-2-1-3-6-11/h4,7-8,11,15H,1-3,5-6,9-10H2,(H2,14,16)
InChIKeyMZKSJGOTRIMXJG-UHFFFAOYSA-N
XLogP2.42
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.42
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

2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine
CID 63825844
3-N-cyclohexylpyridine-2,3-diamine
CID 59587824
3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide
CID 103306082
2-bromo-N-(2-cyclohexyloxyethyl)aniline
CID 55088144
3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine
CID 104758771
3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine
CID 104540211
N-(2-cyclopentyloxyethyl)quinolin-4-amine
CID 55261266
2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol
CID 106308989
2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide
CID 115992752
3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine
CID 63826208
3-chloro-2-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine
CID 63823896
3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine
CID 106394504

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine (CID 104540407) is 3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine is Nc1ncccc1NCCOC1CCCCC1.
What is the InChIKey of 3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine?
The InChIKey is MZKSJGOTRIMXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-13-12(7-4-8-16-13)15-9-10-17-11-5-2-1-3-6-11/h4,7-8,11,15H,1-3,5-6,9-10H2,(H2,14,16).
What are the key properties of 3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine?
3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine has a molecular weight of 235.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine is sourced from PubChem (CID 104540407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).