cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium

C22H39NP+ — CID 90743045

IUPACcyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium
SMILESC1CCCC1.C[C@H](C1CCCC1[P+](C)(C)c1ccccc1)N(C)C
InChIInChI=1S/C17H29NP.C5H10/c1-14(18(2)3)16-12-9-13-17(16)19(4,5)15-10-7-6-8-11-15;1-2-4-5-3-1/h6-8,10-11,14,16-17H,9,12-13H2,1-5H3;1-5H2/q+1;/t14-,16?,17?;/m1./s1
InChIKeyGWDUETCCTNFKAH-WSAUOBDVSA-N
MW348.54 g/mol
LogP5.66
Rot. Bonds4

About cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium

cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium (PubChem CID 90743045) has the molecular formula C22H39NP+ and a molecular weight of 348.54 g/mol. Its IUPAC name is cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium.

Molecular Properties

Compound Namecyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium
PubChem CID90743045
Molecular FormulaC22H39NP+
Molecular Weight348.54 g/mol
Exact Mass348.28
IUPAC Namecyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium
SMILESC1CCCC1.C[C@H](C1CCCC1[P+](C)(C)c1ccccc1)N(C)C
InChIInChI=1S/C17H29NP.C5H10/c1-14(18(2)3)16-12-9-13-17(16)19(4,5)15-10-7-6-8-11-15;1-2-4-5-3-1/h6-8,10-11,14,16-17H,9,12-13H2,1-5H3;1-5H2/q+1;/t14-,16?,17?;/m1./s1
InChIKeyGWDUETCCTNFKAH-WSAUOBDVSA-N
XLogP5.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.54
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane
CID 91444894
CID 58921842
CID 58921842
carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)
CID 155882684
cyclopentane;1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron;hydrate
CID 171371546
[2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium
CID 90741599
(1R)-1-[2-[chloro(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine
CID 58470969
CID 58921857
CID 58921857
cyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium
CID 91318546
N,N-dimethyl-1-(2-phenylcyclohexyl)ethanamine
CID 70492247
(1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine
CID 59690756
(1R)-N,N-dimethyl-1-[2-(2-phenylpropan-2-yl)cyclopentyl]ethanamine
CID 59843953
carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))
CID 162295221

Frequently Asked Questions

What is the IUPAC name of cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium?
The IUPAC name of cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium (CID 90743045) is cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium.
What is the SMILES notation for cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium?
The canonical SMILES for cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium is C1CCCC1.C[C@H](C1CCCC1[P+](C)(C)c1ccccc1)N(C)C.
What is the InChIKey of cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium?
The InChIKey is GWDUETCCTNFKAH-WSAUOBDVSA-N. The full InChI is InChI=1S/C17H29NP.C5H10/c1-14(18(2)3)16-12-9-13-17(16)19(4,5)15-10-7-6-8-11-15;1-2-4-5-3-1/h6-8,10-11,14,16-17H,9,12-13H2,1-5H3;1-5H2/q+1;/t14-,16?,17?;/m1./s1.
What are the key properties of cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium?
cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium has a molecular weight of 348.54 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium is sourced from PubChem (CID 90743045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).