1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine

C20H22NP — CID 12658202

IUPAC1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1=C(P(c2ccccc2)c2ccccc2)C=CC1
InChIInChI=1S/C20H22NP/c1-21(2)16-17-10-9-15-20(17)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-9,11-15H,10,16H2,1-2H3
InChIKeyFTVHYCXSVJWSKV-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.89
Rot. Bonds5

About 1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine

1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine (PubChem CID 12658202) has the molecular formula C20H22NP and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine
PubChem CID12658202
Molecular FormulaC20H22NP
Molecular Weight307.38 g/mol
Exact Mass307.15
IUPAC Name1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1=C(P(c2ccccc2)c2ccccc2)C=CC1
InChIInChI=1S/C20H22NP/c1-21(2)16-17-10-9-15-20(17)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-9,11-15H,10,16H2,1-2H3
InChIKeyFTVHYCXSVJWSKV-UHFFFAOYSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.89
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

[2-(2-methylsulfanylbutyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane
CID 102370895
[2-(cyclohexylphosphanylmethyl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane
CID 101070964
1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
CID 134068234
1-[2-[[2-[(dimethylamino)methyl]phenyl]-phenylphosphanyl]phenyl]-N,N-dimethylmethanamine
CID 15039376
ditert-butyl-[1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
CID 85432950
(R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine
CID 101255313
[(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid
CID 118687805
cyclopenta-1,4-dien-1-yl(diphenyl)phosphane
CID 3524393
plutonium;triphenylphosphane
CID 161300359
N,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine
CID 137231043
2-bromo-N,N-dimethylethanamine;triphenylphosphane
CID 87108889
N,N-dimethyl-1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenta-1,3-dien-1-yl]methanamine
CID 135556156

Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine (CID 12658202) is 1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine is CN(C)CC1=C(P(c2ccccc2)c2ccccc2)C=CC1.
What is the InChIKey of 1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine?
The InChIKey is FTVHYCXSVJWSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22NP/c1-21(2)16-17-10-9-15-20(17)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-9,11-15H,10,16H2,1-2H3.
What are the key properties of 1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine?
1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine has a molecular weight of 307.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 12658202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).