prop-1-ene;bis(pyridin-2-amine)

C13H18N4 — CID 19911264

IUPACprop-1-ene;bis(pyridin-2-amine)
SMILESC=CC.Nc1ccccn1.Nc1ccccn1
InChIInChI=1S/2C5H6N2.C3H6/c2*6-5-3-1-2-4-7-5;1-3-2/h2*1-4H,(H2,6,7);3H,1H2,2H3
InChIKeyBLBFEPUBEOIJIF-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.52
Rot. Bonds

About prop-1-ene;bis(pyridin-2-amine)

prop-1-ene;bis(pyridin-2-amine) (PubChem CID 19911264) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is prop-1-ene;bis(pyridin-2-amine).

Molecular Properties

Compound Nameprop-1-ene;bis(pyridin-2-amine)
PubChem CID19911264
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Nameprop-1-ene;bis(pyridin-2-amine)
SMILESC=CC.Nc1ccccn1.Nc1ccccn1
InChIInChI=1S/2C5H6N2.C3H6/c2*6-5-3-1-2-4-7-5;1-3-2/h2*1-4H,(H2,6,7);3H,1H2,2H3
InChIKeyBLBFEPUBEOIJIF-UHFFFAOYSA-N
XLogP2.52
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 prop-1-ene;bis(pyridin-2-amine)?
The IUPAC name of prop-1-ene;bis(pyridin-2-amine) (CID 19911264) is prop-1-ene;bis(pyridin-2-amine).
What is the SMILES notation for prop-1-ene;bis(pyridin-2-amine)?
The canonical SMILES for prop-1-ene;bis(pyridin-2-amine) is C=CC.Nc1ccccn1.Nc1ccccn1.
What is the InChIKey of prop-1-ene;bis(pyridin-2-amine)?
The InChIKey is BLBFEPUBEOIJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H6N2.C3H6/c2*6-5-3-1-2-4-7-5;1-3-2/h2*1-4H,(H2,6,7);3H,1H2,2H3.
What are the key properties of prop-1-ene;bis(pyridin-2-amine)?
prop-1-ene;bis(pyridin-2-amine) has a molecular weight of 230.31 g/mol, XLogP of 2.52, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;bis(pyridin-2-amine) is sourced from PubChem (CID 19911264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).