5-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-diethylpyridine-2,5-diamine

C16H25N3 — CID 63436001

IUPAC5-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-diethylpyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NC2CC3CCC2C3)cn1
InChIInChI=1S/C16H25N3/c1-3-19(4-2)16-8-7-14(11-17-16)18-15-10-12-5-6-13(15)9-12/h7-8,11-13,15,18H,3-6,9-10H2,1-2H3
InChIKeyHCOUQVGAZWXWRW-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.53
Rot. Bonds5

About 5-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-diethylpyridine-2,5-diamine

5-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-diethylpyridine-2,5-diamine (PubChem CID 63436001) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 5-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-diethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-diethylpyridine-2,5-diamine
PubChem CID63436001
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name5-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-diethylpyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NC2CC3CCC2C3)cn1
InChIInChI=1S/C16H25N3/c1-3-19(4-2)16-8-7-14(11-17-16)18-15-10-12-5-6-13(15)9-12/h7-8,11-13,15,18H,3-6,9-10H2,1-2H3
InChIKeyHCOUQVGAZWXWRW-UHFFFAOYSA-N
XLogP3.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-diethylpyridine-2,5-diamine?
The IUPAC name of 5-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-diethylpyridine-2,5-diamine (CID 63436001) is 5-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-diethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-diethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-diethylpyridine-2,5-diamine is CCN(CC)c1ccc(NC2CC3CCC2C3)cn1.
What is the InChIKey of 5-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-diethylpyridine-2,5-diamine?
The InChIKey is HCOUQVGAZWXWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-19(4-2)16-8-7-14(11-17-16)18-15-10-12-5-6-13(15)9-12/h7-8,11-13,15,18H,3-6,9-10H2,1-2H3.
What are the key properties of 5-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-diethylpyridine-2,5-diamine?
5-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-diethylpyridine-2,5-diamine has a molecular weight of 259.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-diethylpyridine-2,5-diamine is sourced from PubChem (CID 63436001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).