2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine

C16H25N3O — CID 43261074

IUPAC2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine
SMILESCCOc1nc(NC(C)C2CC3CCC2C3)ccc1N
InChIInChI=1S/C16H25N3O/c1-3-20-16-14(17)6-7-15(19-16)18-10(2)13-9-11-4-5-12(13)8-11/h6-7,10-13H,3-5,8-9,17H2,1-2H3,(H,18,19)
InChIKeyQWXIEOVFQABTFV-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.30
Rot. Bonds5

About 2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine

2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine (PubChem CID 43261074) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine
PubChem CID43261074
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine
SMILESCCOc1nc(NC(C)C2CC3CCC2C3)ccc1N
InChIInChI=1S/C16H25N3O/c1-3-20-16-14(17)6-7-15(19-16)18-10(2)13-9-11-4-5-12(13)8-11/h6-7,10-13H,3-5,8-9,17H2,1-2H3,(H,18,19)
InChIKeyQWXIEOVFQABTFV-UHFFFAOYSA-N
XLogP3.30
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine?
The IUPAC name of 2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine (CID 43261074) is 2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine is CCOc1nc(NC(C)C2CC3CCC2C3)ccc1N.
What is the InChIKey of 2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine?
The InChIKey is QWXIEOVFQABTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-20-16-14(17)6-7-15(19-16)18-10(2)13-9-11-4-5-12(13)8-11/h6-7,10-13H,3-5,8-9,17H2,1-2H3,(H,18,19).
What are the key properties of 2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine?
2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine has a molecular weight of 275.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine is sourced from PubChem (CID 43261074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).