3-diphenylphosphanyl-N,N-dimethylprop-2-yn-1-amine

C17H18NP — CID 11288608

IUPAC3-diphenylphosphanyl-N,N-dimethylprop-2-yn-1-amine
SMILESCN(C)CC#CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18NP/c1-18(2)14-9-15-19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13H,14H2,1-2H3
InChIKeyASHKGGOHCOJYRR-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.64
Rot. Bonds3

About 3-diphenylphosphanyl-N,N-dimethylprop-2-yn-1-amine

3-diphenylphosphanyl-N,N-dimethylprop-2-yn-1-amine (PubChem CID 11288608) has the molecular formula C17H18NP and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-diphenylphosphanyl-N,N-dimethylprop-2-yn-1-amine.

Molecular Properties

Compound Name3-diphenylphosphanyl-N,N-dimethylprop-2-yn-1-amine
PubChem CID11288608
Molecular FormulaC17H18NP
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name3-diphenylphosphanyl-N,N-dimethylprop-2-yn-1-amine
SMILESCN(C)CC#CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18NP/c1-18(2)14-9-15-19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13H,14H2,1-2H3
InChIKeyASHKGGOHCOJYRR-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.64
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

5-diphenylphosphanyloxy-N,N-dimethylpent-2-yn-1-amine
CID 11426922
N,N-dimethylprop-2-yn-1-amine;tetrakis(triphenylphosphane)
CID 161123592
2-[2-(dimethylamino)ethyl-phenylphosphanyl]-N,N-dimethylethanamine
CID 70119668
N,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine
CID 34243612
tris(2-diphenylphosphanylethynyl)-phenylphosphanium
CID 86132459
CID 177490000
CID 177490000
(2R)-2-diphenylphosphanyl-N,N,3,3-tetramethylbutan-1-amine
CID 18611548
1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
CID 134068234
2-bromo-N,N-dimethylethanamine;triphenylphosphane
CID 87108889
(Z)-3-diphenylphosphanyl-N,N-dimethylprop-2-en-1-amine
CID 14909100
N,N-dimethylethanamine;toluene
CID 19833465
ethyl-[2-[ethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
CID 22760091

Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphanyl-N,N-dimethylprop-2-yn-1-amine?
The IUPAC name of 3-diphenylphosphanyl-N,N-dimethylprop-2-yn-1-amine (CID 11288608) is 3-diphenylphosphanyl-N,N-dimethylprop-2-yn-1-amine.
What is the SMILES notation for 3-diphenylphosphanyl-N,N-dimethylprop-2-yn-1-amine?
The canonical SMILES for 3-diphenylphosphanyl-N,N-dimethylprop-2-yn-1-amine is CN(C)CC#CP(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphanyl-N,N-dimethylprop-2-yn-1-amine?
The InChIKey is ASHKGGOHCOJYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18NP/c1-18(2)14-9-15-19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13H,14H2,1-2H3.
What are the key properties of 3-diphenylphosphanyl-N,N-dimethylprop-2-yn-1-amine?
3-diphenylphosphanyl-N,N-dimethylprop-2-yn-1-amine has a molecular weight of 267.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphanyl-N,N-dimethylprop-2-yn-1-amine is sourced from PubChem (CID 11288608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).