5-N-ethyl-2-N-prop-2-enylpyridine-2,5-diamine

C10H15N3 — CID 82104360

IUPAC5-N-ethyl-2-N-prop-2-enylpyridine-2,5-diamine
SMILESC=CCNc1ccc(NCC)cn1
InChIInChI=1S/C10H15N3/c1-3-7-12-10-6-5-9(8-13-10)11-4-2/h3,5-6,8,11H,1,4,7H2,2H3,(H,12,13)
InChIKeyGXRVYTHYTLNEAQ-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.11
Rot. Bonds5

About 5-N-ethyl-2-N-prop-2-enylpyridine-2,5-diamine

5-N-ethyl-2-N-prop-2-enylpyridine-2,5-diamine (PubChem CID 82104360) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-N-ethyl-2-N-prop-2-enylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-2-N-prop-2-enylpyridine-2,5-diamine
PubChem CID82104360
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name5-N-ethyl-2-N-prop-2-enylpyridine-2,5-diamine
SMILESC=CCNc1ccc(NCC)cn1
InChIInChI=1S/C10H15N3/c1-3-7-12-10-6-5-9(8-13-10)11-4-2/h3,5-6,8,11H,1,4,7H2,2H3,(H,12,13)
InChIKeyGXRVYTHYTLNEAQ-UHFFFAOYSA-N
XLogP2.11
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-2-N-prop-2-enylpyridine-2,5-diamine?
The IUPAC name of 5-N-ethyl-2-N-prop-2-enylpyridine-2,5-diamine (CID 82104360) is 5-N-ethyl-2-N-prop-2-enylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-ethyl-2-N-prop-2-enylpyridine-2,5-diamine?
The canonical SMILES for 5-N-ethyl-2-N-prop-2-enylpyridine-2,5-diamine is C=CCNc1ccc(NCC)cn1.
What is the InChIKey of 5-N-ethyl-2-N-prop-2-enylpyridine-2,5-diamine?
The InChIKey is GXRVYTHYTLNEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-7-12-10-6-5-9(8-13-10)11-4-2/h3,5-6,8,11H,1,4,7H2,2H3,(H,12,13).
What are the key properties of 5-N-ethyl-2-N-prop-2-enylpyridine-2,5-diamine?
5-N-ethyl-2-N-prop-2-enylpyridine-2,5-diamine has a molecular weight of 177.25 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-2-N-prop-2-enylpyridine-2,5-diamine is sourced from PubChem (CID 82104360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).