[5-(5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phosphane

C11H16N3P — CID 58958023

IUPAC[5-(5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phosphane
SMILESCc1cncc(N2CC3CC2CN3P)c1
InChIInChI=1S/C11H16N3P/c1-8-2-9(5-12-4-8)13-6-11-3-10(13)7-14(11)15/h2,4-5,10-11H,3,6-7,15H2,1H3
InChIKeyACRFJWZRFRTEAT-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.44
Rot. Bonds1

About [5-(5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phosphane

[5-(5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phosphane (PubChem CID 58958023) has the molecular formula C11H16N3P and a molecular weight of 221.24 g/mol. Its IUPAC name is [5-(5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phosphane.

Molecular Properties

Compound Name[5-(5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phosphane
PubChem CID58958023
Molecular FormulaC11H16N3P
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name[5-(5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phosphane
SMILESCc1cncc(N2CC3CC2CN3P)c1
InChIInChI=1S/C11H16N3P/c1-8-2-9(5-12-4-8)13-6-11-3-10(13)7-14(11)15/h2,4-5,10-11H,3,6-7,15H2,1H3
InChIKeyACRFJWZRFRTEAT-UHFFFAOYSA-N
XLogP1.44
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phosphane?
The IUPAC name of [5-(5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phosphane (CID 58958023) is [5-(5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phosphane.
What is the SMILES notation for [5-(5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phosphane?
The canonical SMILES for [5-(5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phosphane is Cc1cncc(N2CC3CC2CN3P)c1.
What is the InChIKey of [5-(5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phosphane?
The InChIKey is ACRFJWZRFRTEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N3P/c1-8-2-9(5-12-4-8)13-6-11-3-10(13)7-14(11)15/h2,4-5,10-11H,3,6-7,15H2,1H3.
What are the key properties of [5-(5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phosphane?
[5-(5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phosphane has a molecular weight of 221.24 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phosphane is sourced from PubChem (CID 58958023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).