1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine

C25H33NP2 — CID 176528493

IUPAC1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
SMILESCCP(CC)C1C=CC(C(C)N(C)C)=C1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H33NP2/c1-6-27(7-2)24-19-18-23(20(3)26(4)5)25(24)28(21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-20,24H,6-7H2,1-5H3
InChIKeyKWQDHZQYQIQEBY-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.78
Rot. Bonds8

About 1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine

1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine (PubChem CID 176528493) has the molecular formula C25H33NP2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
PubChem CID176528493
Molecular FormulaC25H33NP2
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
SMILESCCP(CC)C1C=CC(C(C)N(C)C)=C1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H33NP2/c1-6-27(7-2)24-19-18-23(20(3)26(4)5)25(24)28(21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-20,24H,6-7H2,1-5H3
InChIKeyKWQDHZQYQIQEBY-UHFFFAOYSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine with MolForge

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Related Compounds

butane;triphenylphosphane
CID 161447439
cyclopentane;1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine;iron
CID 87628773
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
1-[1-(dimethylamino)propyl-phenylphosphanyl]-N,N-dimethylpropan-1-amine
CID 70455787
dicyclohexyl-[(1R)-1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 138962255
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
1,1'-Bis{(R)-{(RP)-2-[(S)-1-(dimethylamino)ethyl]ferrocenyl}phenylphosphino}ferrocene
CID 146160115
ethane;triphenylphosphane
CID 90942156
triphenylphosphane
CID 139056248
5-[1-(dimethylamino)ethyl]-4-diphenylphosphanyl-2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde
CID 87635133
bis(di(propan-2-yl)carbamic acid);ruthenium;bis(triphenylphosphane)
CID 11480047
1-[2-[[2-[(dimethylamino)methyl]phenyl]-phenylphosphanyl]phenyl]-N,N-dimethylmethanamine
CID 15039376

Frequently Asked Questions

What is the IUPAC name of 1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine (CID 176528493) is 1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine is CCP(CC)C1C=CC(C(C)N(C)C)=C1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
The InChIKey is KWQDHZQYQIQEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NP2/c1-6-27(7-2)24-19-18-23(20(3)26(4)5)25(24)28(21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-20,24H,6-7H2,1-5H3.
What are the key properties of 1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine has a molecular weight of 409.49 g/mol, XLogP of 5.78, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-diethylphosphanyl-2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 176528493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).