5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine

C19H22NOP — CID 11426922

IUPAC5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine
SMILESCN(C)CC#CCCOP(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NOP/c1-20(2)16-10-5-11-17-21-22(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-4,6-9,12-15H,11,16-17H2,1-2H3
InChIKeyMRIXRCSZWSEJGH-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.01
Rot. Bonds6

About 5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine

5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine (PubChem CID 11426922) has the molecular formula C19H22NOP and a molecular weight of 311.37 g/mol. Its IUPAC name is 5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine.

Molecular Properties

Compound Name5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine
PubChem CID11426922
Molecular FormulaC19H22NOP
Molecular Weight311.37 g/mol
Exact Mass311.14
IUPAC Name5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine
SMILESCN(C)CC#CCCOP(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NOP/c1-20(2)16-10-5-11-17-21-22(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-4,6-9,12-15H,11,16-17H2,1-2H3
InChIKeyMRIXRCSZWSEJGH-UHFFFAOYSA-N
XLogP3.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphanyloxyethoxy(diphenyl)phosphane
CID 10950051
3-diphenylphosphanyl-N,N-dimethylprop-2-yn-1-amine
CID 11288608
2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline
CID 102355584
3-methylbutoxy(diphenyl)phosphane;3-methylbutyl(diphenyl)phosphane
CID 175546596
N,N-dimethylprop-2-yn-1-amine;tetrakis(triphenylphosphane)
CID 161123592
4-(3-diphenylphosphanyloxypropyliminomethyl)-N,N-dimethylaniline
CID 101031441
[5-(diphenylphosphanyloxymethyl)furan-2-yl]methoxy-diphenylphosphane
CID 58460489
N,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine
CID 34243612
2-[2-(dimethylamino)ethyl-phenylphosphanyl]-N,N-dimethylethanamine
CID 70119668
methoxymethyl(diphenyl)phosphane
CID 819497
2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde
CID 90687309
palladium;ruthenium;triphenylphosphane
CID 174683160

Frequently Asked Questions

What is the IUPAC name of 5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine?
The IUPAC name of 5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine (CID 11426922) is 5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine.
What is the SMILES notation for 5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine?
The canonical SMILES for 5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine is CN(C)CC#CCCOP(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine?
The InChIKey is MRIXRCSZWSEJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NOP/c1-20(2)16-10-5-11-17-21-22(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-4,6-9,12-15H,11,16-17H2,1-2H3.
What are the key properties of 5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine?
5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine has a molecular weight of 311.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine is sourced from PubChem (CID 11426922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).