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

C12H19N3O — CID 80647858

IUPAC6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine
SMILESNc1cccc(NCCOC2CCCC2)n1
InChIInChI=1S/C12H19N3O/c13-11-6-3-7-12(15-11)14-8-9-16-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H3,13,14,15)
InChIKeyCGWZNHMYBFRMKB-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.03
Rot. Bonds5

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

6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine (PubChem CID 80647858) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine
PubChem CID80647858
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine
SMILESNc1cccc(NCCOC2CCCC2)n1
InChIInChI=1S/C12H19N3O/c13-11-6-3-7-12(15-11)14-8-9-16-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H3,13,14,15)
InChIKeyCGWZNHMYBFRMKB-UHFFFAOYSA-N
XLogP2.03
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.03
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)-2-N-ethylpyridine-2,6-diamine
CID 80846644
2-N-(2-cyclopentyloxyethyl)pyrazine-2,6-diamine
CID 78988738
2-N-(2-cyclohexyloxyethyl)pyrazine-2,6-diamine
CID 78988775
2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine
CID 63826021
2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine
CID 63833715
6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine
CID 79815858
3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine
CID 63826208
6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine
CID 80648183
6-N-cycloheptylpyridine-2,6-diamine
CID 80647951
6-N-(3-methoxypropyl)pyridine-2,6-diamine
CID 80647839
2-[(6-amino-2-pyridinyl)amino]ethanol
CID 66907238
N-(2-cyclohexyloxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372569

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine (CID 80647858) is 6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine is Nc1cccc(NCCOC2CCCC2)n1.
What is the InChIKey of 6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine?
The InChIKey is CGWZNHMYBFRMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-11-6-3-7-12(15-11)14-8-9-16-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H3,13,14,15).
What are the key properties of 6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine?
6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine has a molecular weight of 221.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine is sourced from PubChem (CID 80647858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).