2-octoxypyridin-3-amine

C13H22N2O — CID 43126987

IUPAC2-octoxypyridin-3-amine
SMILESCCCCCCCCOc1ncccc1N
InChIInChI=1S/C13H22N2O/c1-2-3-4-5-6-7-11-16-13-12(14)9-8-10-15-13/h8-10H,2-7,11,14H2,1H3
InChIKeyJDGHULMSPHVDNK-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.40
Rot. Bonds8

About 2-octoxypyridin-3-amine

2-octoxypyridin-3-amine (PubChem CID 43126987) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-octoxypyridin-3-amine.

Molecular Properties

Compound Name2-octoxypyridin-3-amine
PubChem CID43126987
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-octoxypyridin-3-amine
SMILESCCCCCCCCOc1ncccc1N
InChIInChI=1S/C13H22N2O/c1-2-3-4-5-6-7-11-16-13-12(14)9-8-10-15-13/h8-10H,2-7,11,14H2,1H3
InChIKeyJDGHULMSPHVDNK-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-Fluorophenoxy)pyridin-3-amine
CID 2800656
Pyridine, 5-amino-2,3'-oxydi-
CID 2800156
6-Methoxy-3-pyridinylamine
CID 81121
6-(4-Fluorophenoxy)pyridin-3-amine
CID 421224
3-Amino-2-(4-fluorophenoxy)pyridine
CID 2735921
5-Amino-2-butoxypyridine
CID 68314
6-Phenoxy-3-pyridinamine
CID 212856
2-(2,4-Difluorophenoxy)-3-pyridinamine
CID 2735906
2-Ethoxypyridine
CID 84499
3-Amino-2-methoxypyridine
CID 2737488
5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-ylamine
CID 21309646
Allyl 2-pyridyl ether
CID 79906

Frequently Asked Questions

What is the IUPAC name of 2-octoxypyridin-3-amine?
The IUPAC name of 2-octoxypyridin-3-amine (CID 43126987) is 2-octoxypyridin-3-amine.
What is the SMILES notation for 2-octoxypyridin-3-amine?
The canonical SMILES for 2-octoxypyridin-3-amine is CCCCCCCCOc1ncccc1N.
What is the InChIKey of 2-octoxypyridin-3-amine?
The InChIKey is JDGHULMSPHVDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-3-4-5-6-7-11-16-13-12(14)9-8-10-15-13/h8-10H,2-7,11,14H2,1H3.
What are the key properties of 2-octoxypyridin-3-amine?
2-octoxypyridin-3-amine has a molecular weight of 222.33 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxypyridin-3-amine is sourced from PubChem (CID 43126987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).