(3-methylcyclohex-3-en-1-yl)-propan-2-yl-pyridin-2-ylphosphane

C15H22NP — CID 163885336

IUPAC(3-methylcyclohex-3-en-1-yl)-propan-2-yl-pyridin-2-ylphosphane
SMILESCC1=CCCC(P(c2ccccn2)C(C)C)C1
InChIInChI=1S/C15H22NP/c1-12(2)17(15-9-4-5-10-16-15)14-8-6-7-13(3)11-14/h4-5,7,9-10,12,14H,6,8,11H2,1-3H3
InChIKeyPWVUSYYZSDVAOU-UHFFFAOYSA-N
MW247.32 g/mol
LogP4.10
Rot. Bonds3

About (3-methylcyclohex-3-en-1-yl)-propan-2-yl-pyridin-2-ylphosphane

(3-methylcyclohex-3-en-1-yl)-propan-2-yl-pyridin-2-ylphosphane (PubChem CID 163885336) has the molecular formula C15H22NP and a molecular weight of 247.32 g/mol. Its IUPAC name is (3-methylcyclohex-3-en-1-yl)-propan-2-yl-pyridin-2-ylphosphane.

Molecular Properties

Compound Name(3-methylcyclohex-3-en-1-yl)-propan-2-yl-pyridin-2-ylphosphane
PubChem CID163885336
Molecular FormulaC15H22NP
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name(3-methylcyclohex-3-en-1-yl)-propan-2-yl-pyridin-2-ylphosphane
SMILESCC1=CCCC(P(c2ccccn2)C(C)C)C1
InChIInChI=1S/C15H22NP/c1-12(2)17(15-9-4-5-10-16-15)14-8-6-7-13(3)11-14/h4-5,7,9-10,12,14H,6,8,11H2,1-3H3
InChIKeyPWVUSYYZSDVAOU-UHFFFAOYSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyl(dipyridin-2-yl)phosphane
CID 126497392
2-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propylsulfanyl]pyridine
CID 11086098
bis(4-methylphenyl)-pyridin-2-ylphosphane
CID 21284190
2-(2-methyl-2-propan-2-ylcyclohexyl)pyridine
CID 144924332
3-cyclopropyl-1-pyridin-2-ylbutan-2-amine
CID 83155129
2-(2-bromo-3-cyclopropylbutyl)pyridine
CID 83152951
cesium;acetylene;(R)-tert-butyl-cyclopentyl-pyridin-2-ylphosphane;tris((S)-tert-butyl-cyclopentyl-pyridin-2-ylphosphane);carbanide;hydride;bis(iron(2+))
CID 162267871
5-(chloromethyl)-1-methylcyclohexene
CID 152729748
chlorogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane)
CID 15166408
N-[(1S)-1-pyridin-2-ylethyl]cycloheptanamine
CID 28647798
2-(1-cyclopropylethoxymethyl)pyridine
CID 88973388
N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
CID 29052683

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohex-3-en-1-yl)-propan-2-yl-pyridin-2-ylphosphane?
The IUPAC name of (3-methylcyclohex-3-en-1-yl)-propan-2-yl-pyridin-2-ylphosphane (CID 163885336) is (3-methylcyclohex-3-en-1-yl)-propan-2-yl-pyridin-2-ylphosphane.
What is the SMILES notation for (3-methylcyclohex-3-en-1-yl)-propan-2-yl-pyridin-2-ylphosphane?
The canonical SMILES for (3-methylcyclohex-3-en-1-yl)-propan-2-yl-pyridin-2-ylphosphane is CC1=CCCC(P(c2ccccn2)C(C)C)C1.
What is the InChIKey of (3-methylcyclohex-3-en-1-yl)-propan-2-yl-pyridin-2-ylphosphane?
The InChIKey is PWVUSYYZSDVAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NP/c1-12(2)17(15-9-4-5-10-16-15)14-8-6-7-13(3)11-14/h4-5,7,9-10,12,14H,6,8,11H2,1-3H3.
What are the key properties of (3-methylcyclohex-3-en-1-yl)-propan-2-yl-pyridin-2-ylphosphane?
(3-methylcyclohex-3-en-1-yl)-propan-2-yl-pyridin-2-ylphosphane has a molecular weight of 247.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohex-3-en-1-yl)-propan-2-yl-pyridin-2-ylphosphane is sourced from PubChem (CID 163885336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).