2-heptoxypyridin-3-amine

C12H20N2O — CID 43127004

IUPAC2-heptoxypyridin-3-amine
SMILESCCCCCCCOc1ncccc1N
InChIInChI=1S/C12H20N2O/c1-2-3-4-5-6-10-15-12-11(13)8-7-9-14-12/h7-9H,2-6,10,13H2,1H3
InChIKeyNCTLPXISLIZPDV-UHFFFAOYSA-N
MW208.31 g/mol
LogP3.01
Rot. Bonds7

About 2-heptoxypyridin-3-amine

2-heptoxypyridin-3-amine (PubChem CID 43127004) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-heptoxypyridin-3-amine.

Molecular Properties

Compound Name2-heptoxypyridin-3-amine
PubChem CID43127004
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-heptoxypyridin-3-amine
SMILESCCCCCCCOc1ncccc1N
InChIInChI=1S/C12H20N2O/c1-2-3-4-5-6-10-15-12-11(13)8-7-9-14-12/h7-9H,2-6,10,13H2,1H3
InChIKeyNCTLPXISLIZPDV-UHFFFAOYSA-N
XLogP3.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 53.01
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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Frequently Asked Questions

What is the IUPAC name of 2-heptoxypyridin-3-amine?
The IUPAC name of 2-heptoxypyridin-3-amine (CID 43127004) is 2-heptoxypyridin-3-amine.
What is the SMILES notation for 2-heptoxypyridin-3-amine?
The canonical SMILES for 2-heptoxypyridin-3-amine is CCCCCCCOc1ncccc1N.
What is the InChIKey of 2-heptoxypyridin-3-amine?
The InChIKey is NCTLPXISLIZPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-3-4-5-6-10-15-12-11(13)8-7-9-14-12/h7-9H,2-6,10,13H2,1H3.
What are the key properties of 2-heptoxypyridin-3-amine?
2-heptoxypyridin-3-amine has a molecular weight of 208.31 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptoxypyridin-3-amine is sourced from PubChem (CID 43127004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).