N,N-dimethylprop-2-yn-1-amine;tetrakis(triphenylphosphane)

C77H69NP4 — CID 161123592

IUPACN,N-dimethylprop-2-yn-1-amine;tetrakis(triphenylphosphane)
SMILESC#CCN(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C5H9N/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-5-6(2)3/h4*1-15H;1H,5H2,2-3H3
InChIKeyULGPSXZDUWPMAT-UHFFFAOYSA-N
MW1132.30 g/mol
LogP13.96
Rot. Bonds13

About N,N-dimethylprop-2-yn-1-amine;tetrakis(triphenylphosphane)

N,N-dimethylprop-2-yn-1-amine;tetrakis(triphenylphosphane) (PubChem CID 161123592) has the molecular formula C77H69NP4 and a molecular weight of 1132.30 g/mol. Its IUPAC name is N,N-dimethylprop-2-yn-1-amine;tetrakis(triphenylphosphane).

Molecular Properties

Compound NameN,N-dimethylprop-2-yn-1-amine;tetrakis(triphenylphosphane)
PubChem CID161123592
Molecular FormulaC77H69NP4
Molecular Weight1132.30 g/mol
Exact Mass1131.44
IUPAC NameN,N-dimethylprop-2-yn-1-amine;tetrakis(triphenylphosphane)
SMILESC#CCN(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C5H9N/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-5-6(2)3/h4*1-15H;1H,5H2,2-3H3
InChIKeyULGPSXZDUWPMAT-UHFFFAOYSA-N
XLogP13.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001132.30
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;triphenylphosphane
CID 90942156
1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
CID 134068234
2-bromo-N,N-dimethylethanamine;triphenylphosphane
CID 87108889
triphenylphosphane
CID 139056248
3-diphenylphosphanyl-N,N-dimethylprop-2-yn-1-amine
CID 11288608
butane;triphenylphosphane
CID 161447439
platinum;triphenylphosphane
CID 159264630
nickel;tetrakis(triphenylphosphane)
CID 161328494
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268
triphenylphosphane;yttrium
CID 139917776

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylprop-2-yn-1-amine;tetrakis(triphenylphosphane)?
The IUPAC name of N,N-dimethylprop-2-yn-1-amine;tetrakis(triphenylphosphane) (CID 161123592) is N,N-dimethylprop-2-yn-1-amine;tetrakis(triphenylphosphane).
What is the SMILES notation for N,N-dimethylprop-2-yn-1-amine;tetrakis(triphenylphosphane)?
The canonical SMILES for N,N-dimethylprop-2-yn-1-amine;tetrakis(triphenylphosphane) is C#CCN(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-dimethylprop-2-yn-1-amine;tetrakis(triphenylphosphane)?
The InChIKey is ULGPSXZDUWPMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.C5H9N/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-5-6(2)3/h4*1-15H;1H,5H2,2-3H3.
What are the key properties of N,N-dimethylprop-2-yn-1-amine;tetrakis(triphenylphosphane)?
N,N-dimethylprop-2-yn-1-amine;tetrakis(triphenylphosphane) has a molecular weight of 1132.30 g/mol, XLogP of 13.96, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-yn-1-amine;tetrakis(triphenylphosphane) is sourced from PubChem (CID 161123592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).