(5-hept-6-enoxy-2-pyridinyl)methanamine

C13H20N2O — CID 107006235

IUPAC(5-hept-6-enoxy-2-pyridinyl)methanamine
SMILESC=CCCCCCOc1ccc(CN)nc1
InChIInChI=1S/C13H20N2O/c1-2-3-4-5-6-9-16-13-8-7-12(10-14)15-11-13/h2,7-8,11H,1,3-6,9-10,14H2
InChIKeyLELZTDSIQQOIAQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.67
Rot. Bonds8

About (5-hept-6-enoxy-2-pyridinyl)methanamine

(5-hept-6-enoxy-2-pyridinyl)methanamine (PubChem CID 107006235) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (5-hept-6-enoxy-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-hept-6-enoxy-2-pyridinyl)methanamine
PubChem CID107006235
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(5-hept-6-enoxy-2-pyridinyl)methanamine
SMILESC=CCCCCCOc1ccc(CN)nc1
InChIInChI=1S/C13H20N2O/c1-2-3-4-5-6-9-16-13-8-7-12(10-14)15-11-13/h2,7-8,11H,1,3-6,9-10,14H2
InChIKeyLELZTDSIQQOIAQ-UHFFFAOYSA-N
XLogP2.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-hept-6-enoxy-2-pyridinyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-hept-6-enoxy-2-pyridinyl)methanamine?
The IUPAC name of (5-hept-6-enoxy-2-pyridinyl)methanamine (CID 107006235) is (5-hept-6-enoxy-2-pyridinyl)methanamine.
What is the SMILES notation for (5-hept-6-enoxy-2-pyridinyl)methanamine?
The canonical SMILES for (5-hept-6-enoxy-2-pyridinyl)methanamine is C=CCCCCCOc1ccc(CN)nc1.
What is the InChIKey of (5-hept-6-enoxy-2-pyridinyl)methanamine?
The InChIKey is LELZTDSIQQOIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-3-4-5-6-9-16-13-8-7-12(10-14)15-11-13/h2,7-8,11H,1,3-6,9-10,14H2.
What are the key properties of (5-hept-6-enoxy-2-pyridinyl)methanamine?
(5-hept-6-enoxy-2-pyridinyl)methanamine has a molecular weight of 220.32 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hept-6-enoxy-2-pyridinyl)methanamine is sourced from PubChem (CID 107006235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).