cyclopentyl-propan-2-yl-(1,2,3,4-tetrahydropyridin-6-yl)phosphane

C13H24NP — CID 126497389

IUPACcyclopentyl-propan-2-yl-(1,2,3,4-tetrahydropyridin-6-yl)phosphane
SMILESCC(C)P(C1=CCCCN1)C1CCCC1
InChIInChI=1S/C13H24NP/c1-11(2)15(12-7-3-4-8-12)13-9-5-6-10-14-13/h9,11-12,14H,3-8,10H2,1-2H3
InChIKeyQERVYWGBKQIPRI-UHFFFAOYSA-N
MW225.32 g/mol
LogP4.04
Rot. Bonds3

About cyclopentyl-propan-2-yl-(1,2,3,4-tetrahydropyridin-6-yl)phosphane

cyclopentyl-propan-2-yl-(1,2,3,4-tetrahydropyridin-6-yl)phosphane (PubChem CID 126497389) has the molecular formula C13H24NP and a molecular weight of 225.32 g/mol. Its IUPAC name is cyclopentyl-propan-2-yl-(1,2,3,4-tetrahydropyridin-6-yl)phosphane.

Molecular Properties

Compound Namecyclopentyl-propan-2-yl-(1,2,3,4-tetrahydropyridin-6-yl)phosphane
PubChem CID126497389
Molecular FormulaC13H24NP
Molecular Weight225.32 g/mol
Exact Mass225.16
IUPAC Namecyclopentyl-propan-2-yl-(1,2,3,4-tetrahydropyridin-6-yl)phosphane
SMILESCC(C)P(C1=CCCCN1)C1CCCC1
InChIInChI=1S/C13H24NP/c1-11(2)15(12-7-3-4-8-12)13-9-5-6-10-14-13/h9,11-12,14H,3-8,10H2,1-2H3
InChIKeyQERVYWGBKQIPRI-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-propan-2-yl-(1,2,3,4-tetrahydropyridin-6-yl)phosphane?
The IUPAC name of cyclopentyl-propan-2-yl-(1,2,3,4-tetrahydropyridin-6-yl)phosphane (CID 126497389) is cyclopentyl-propan-2-yl-(1,2,3,4-tetrahydropyridin-6-yl)phosphane.
What is the SMILES notation for cyclopentyl-propan-2-yl-(1,2,3,4-tetrahydropyridin-6-yl)phosphane?
The canonical SMILES for cyclopentyl-propan-2-yl-(1,2,3,4-tetrahydropyridin-6-yl)phosphane is CC(C)P(C1=CCCCN1)C1CCCC1.
What is the InChIKey of cyclopentyl-propan-2-yl-(1,2,3,4-tetrahydropyridin-6-yl)phosphane?
The InChIKey is QERVYWGBKQIPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24NP/c1-11(2)15(12-7-3-4-8-12)13-9-5-6-10-14-13/h9,11-12,14H,3-8,10H2,1-2H3.
What are the key properties of cyclopentyl-propan-2-yl-(1,2,3,4-tetrahydropyridin-6-yl)phosphane?
cyclopentyl-propan-2-yl-(1,2,3,4-tetrahydropyridin-6-yl)phosphane has a molecular weight of 225.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-propan-2-yl-(1,2,3,4-tetrahydropyridin-6-yl)phosphane is sourced from PubChem (CID 126497389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).