2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde

C22H36NOP — CID 87395874

IUPAC2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde
SMILESCC(C1C=CC(P(C2CCCCC2)C2CCCCC2)=C1C=O)N(C)C
InChIInChI=1S/C22H36NOP/c1-17(23(2)3)20-14-15-22(21(20)16-24)25(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h14-20H,4-13H2,1-3H3
InChIKeyTVLAELVRAHLCJO-UHFFFAOYSA-N
MW361.51 g/mol
LogP5.72
Rot. Bonds6

About 2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde

2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde (PubChem CID 87395874) has the molecular formula C22H36NOP and a molecular weight of 361.51 g/mol. Its IUPAC name is 2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde
PubChem CID87395874
Molecular FormulaC22H36NOP
Molecular Weight361.51 g/mol
Exact Mass361.25
IUPAC Name2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde
SMILESCC(C1C=CC(P(C2CCCCC2)C2CCCCC2)=C1C=O)N(C)C
InChIInChI=1S/C22H36NOP/c1-17(23(2)3)20-14-15-22(21(20)16-24)25(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h14-20H,4-13H2,1-3H3
InChIKeyTVLAELVRAHLCJO-UHFFFAOYSA-N
XLogP5.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.51
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))
CID 162295221
(1R)-1-[2-[cyclohexyl(cyclopentyl)phosphanyl]-3-methylcyclopentyl]-N,N-dimethylethanamine
CID 140666053
(1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 162411834
ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 71310500
dicyclohexyl-[4-dicyclohexylphosphanyl-2,5-di(propan-2-yl)thiophen-3-yl]phosphane
CID 170552424
N-[cyclohexyl(dimethylamino)phosphanyl]-N-methylmethanamine
CID 576684
bromocyclopentane;tris(cyclopentane);(1R)-1-[2-[cyclopentyl-(4-methoxyphenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine;bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);iron
CID 162267819
carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+)
CID 137319736
(1S)-1-[2-[(2-dicyclohexylphosphanylphenyl)-methylphosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 134959452
dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,4-dien-1-yl]phosphane
CID 70795771
(1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 89256715
cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium
CID 90743045

Frequently Asked Questions

What is the IUPAC name of 2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde?
The IUPAC name of 2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde (CID 87395874) is 2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde?
The canonical SMILES for 2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde is CC(C1C=CC(P(C2CCCCC2)C2CCCCC2)=C1C=O)N(C)C.
What is the InChIKey of 2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde?
The InChIKey is TVLAELVRAHLCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36NOP/c1-17(23(2)3)20-14-15-22(21(20)16-24)25(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h14-20H,4-13H2,1-3H3.
What are the key properties of 2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde?
2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde has a molecular weight of 361.51 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dicyclohexylphosphanyl-5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 87395874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).