[(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium

C14H31N3P+ — CID 10757160

IUPAC[(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium
SMILESCN(C)[P+](/C=C/C1CCCCC1)(N(C)C)N(C)C
InChIInChI=1S/C14H31N3P/c1-15(2)18(16(3)4,17(5)6)13-12-14-10-8-7-9-11-14/h12-14H,7-11H2,1-6H3/q+1/b13-12+
InChIKeyGJXIQMZKLRZGAT-OUKQBFOZSA-N
MW272.40 g/mol
LogP3.53
Rot. Bonds5

About [(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium

[(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium (PubChem CID 10757160) has the molecular formula C14H31N3P+ and a molecular weight of 272.40 g/mol. Its IUPAC name is [(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium.

Molecular Properties

Compound Name[(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium
PubChem CID10757160
Molecular FormulaC14H31N3P+
Molecular Weight272.40 g/mol
Exact Mass272.23
IUPAC Name[(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium
SMILESCN(C)[P+](/C=C/C1CCCCC1)(N(C)C)N(C)C
InChIInChI=1S/C14H31N3P/c1-15(2)18(16(3)4,17(5)6)13-12-14-10-8-7-9-11-14/h12-14H,7-11H2,1-6H3/q+1/b13-12+
InChIKeyGJXIQMZKLRZGAT-OUKQBFOZSA-N
XLogP3.53
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-cycloheptylbut-3-en-2-amine
CID 103091494
[(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane
CID 11130051
2-cyclohexylethenylcyclohexane
CID 4124459
[(E)-3-methylbut-1-enyl]cyclobutane
CID 171745046
prop-1-enylcyclododecane
CID 139760926
(E)-4-cyclohexyl-2-hydroxybut-3-enenitrile
CID 130129151
[(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate
CID 11241316
[(E)-2-propan-2-ylselanylethenyl]cyclohexane
CID 10561487
[(E)-but-1-enyl]cyclodecane
CID 173272598
(E)-2-cyclohexylethenethiol
CID 142947684
2-iodoethenylcyclohexane
CID 71361827
N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine
CID 79348190

Frequently Asked Questions

What is the IUPAC name of [(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium?
The IUPAC name of [(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium (CID 10757160) is [(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium.
What is the SMILES notation for [(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium?
The canonical SMILES for [(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium is CN(C)[P+](/C=C/C1CCCCC1)(N(C)C)N(C)C.
What is the InChIKey of [(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium?
The InChIKey is GJXIQMZKLRZGAT-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H31N3P/c1-15(2)18(16(3)4,17(5)6)13-12-14-10-8-7-9-11-14/h12-14H,7-11H2,1-6H3/q+1/b13-12+.
What are the key properties of [(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium?
[(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium has a molecular weight of 272.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium is sourced from PubChem (CID 10757160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).