2-decoxypyridin-3-amine

C15H26N2O — CID 90679710

IUPAC2-decoxypyridin-3-amine
SMILESCCCCCCCCCCOc1ncccc1N
InChIInChI=1S/C15H26N2O/c1-2-3-4-5-6-7-8-9-13-18-15-14(16)11-10-12-17-15/h10-12H,2-9,13,16H2,1H3
InChIKeyUUDHVRLACZXDNQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP4.18
Rot. Bonds10

About 2-decoxypyridin-3-amine

2-decoxypyridin-3-amine (PubChem CID 90679710) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-decoxypyridin-3-amine.

Molecular Properties

Compound Name2-decoxypyridin-3-amine
PubChem CID90679710
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-decoxypyridin-3-amine
SMILESCCCCCCCCCCOc1ncccc1N
InChIInChI=1S/C15H26N2O/c1-2-3-4-5-6-7-8-9-13-18-15-14(16)11-10-12-17-15/h10-12H,2-9,13,16H2,1H3
InChIKeyUUDHVRLACZXDNQ-UHFFFAOYSA-N
XLogP4.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 54.18
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-decoxypyridin-3-amine?
The IUPAC name of 2-decoxypyridin-3-amine (CID 90679710) is 2-decoxypyridin-3-amine.
What is the SMILES notation for 2-decoxypyridin-3-amine?
The canonical SMILES for 2-decoxypyridin-3-amine is CCCCCCCCCCOc1ncccc1N.
What is the InChIKey of 2-decoxypyridin-3-amine?
The InChIKey is UUDHVRLACZXDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-3-4-5-6-7-8-9-13-18-15-14(16)11-10-12-17-15/h10-12H,2-9,13,16H2,1H3.
What are the key properties of 2-decoxypyridin-3-amine?
2-decoxypyridin-3-amine has a molecular weight of 250.39 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decoxypyridin-3-amine is sourced from PubChem (CID 90679710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).