5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol

C12H20N2O2 — CID 107318017

IUPAC5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol
SMILESCCOc1cccc(NCCCCCO)n1
InChIInChI=1S/C12H20N2O2/c1-2-16-12-8-6-7-11(14-12)13-9-4-3-5-10-15/h6-8,15H,2-5,9-10H2,1H3,(H,13,14)
InChIKeyKLRVYXFJGRPIJY-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.05
Rot. Bonds8

About 5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol

5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol (PubChem CID 107318017) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol
PubChem CID107318017
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol
SMILESCCOc1cccc(NCCCCCO)n1
InChIInChI=1S/C12H20N2O2/c1-2-16-12-8-6-7-11(14-12)13-9-4-3-5-10-15/h6-8,15H,2-5,9-10H2,1H3,(H,13,14)
InChIKeyKLRVYXFJGRPIJY-UHFFFAOYSA-N
XLogP2.05
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.05
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-[(6-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848852
6-ethoxy-N-hex-5-ynylpyridin-2-amine
CID 106214456
6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine
CID 63590219
6-ethoxy-N-(4-methylpentyl)pyridin-2-amine
CID 63589684
N-(2-chloroethyl)-6-ethoxypyridin-2-amine
CID 65029665
methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate
CID 63591109
6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol
CID 107854113
tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate
CID 115735888
4-[(6-hydrazinyl-2-pyridinyl)amino]butan-1-ol
CID 106847100
4-[(6-amino-2-pyridinyl)amino]butan-1-ol
CID 106846869
6-ethoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 107851217
N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63591133

Frequently Asked Questions

What is the IUPAC name of 5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol?
The IUPAC name of 5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol (CID 107318017) is 5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol?
The canonical SMILES for 5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol is CCOc1cccc(NCCCCCO)n1.
What is the InChIKey of 5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol?
The InChIKey is KLRVYXFJGRPIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-16-12-8-6-7-11(14-12)13-9-4-3-5-10-15/h6-8,15H,2-5,9-10H2,1H3,(H,13,14).
What are the key properties of 5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol?
5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol is sourced from PubChem (CID 107318017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).