6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine

C14H23N3O — CID 80846644

IUPAC6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(NCCOC2CCCC2)n1
InChIInChI=1S/C14H23N3O/c1-2-15-13-8-5-9-14(17-13)16-10-11-18-12-6-3-4-7-12/h5,8-9,12H,2-4,6-7,10-11H2,1H3,(H2,15,16,17)
InChIKeyGSLAPMDIYVLKES-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.88
Rot. Bonds7

About 6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine

6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine (PubChem CID 80846644) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine
PubChem CID80846644
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(NCCOC2CCCC2)n1
InChIInChI=1S/C14H23N3O/c1-2-15-13-8-5-9-14(17-13)16-10-11-18-12-6-3-4-7-12/h5,8-9,12H,2-4,6-7,10-11H2,1H3,(H2,15,16,17)
InChIKeyGSLAPMDIYVLKES-UHFFFAOYSA-N
XLogP2.88
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.88
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

6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine
CID 80647858
2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 80846576
2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine
CID 80820194
2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine
CID 63826021
2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine
CID 63833715
4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80846025
6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine
CID 80786169
N-ethyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine
CID 79238851
2-N-ethyl-6-N-(2-fluoroethyl)pyridine-2,6-diamine
CID 130505047
N-(2-cyclohexyloxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372569
N-ethyl-6-(3-methoxypiperidin-1-yl)pyridin-2-amine
CID 102971487
N-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine
CID 133308532

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine (CID 80846644) is 6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine is CCNc1cccc(NCCOC2CCCC2)n1.
What is the InChIKey of 6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine?
The InChIKey is GSLAPMDIYVLKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-15-13-8-5-9-14(17-13)16-10-11-18-12-6-3-4-7-12/h5,8-9,12H,2-4,6-7,10-11H2,1H3,(H2,15,16,17).
What are the key properties of 6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine?
6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine has a molecular weight of 249.36 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 80846644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).