amino-bis(diethylamino)-[4-(dimethylamino)phenyl]phosphanium

C16H32N4P+ — CID 3766202

IUPACamino-bis(diethylamino)-[4-(dimethylamino)phenyl]phosphanium
SMILESCCN(CC)[P+](N)(c1ccc(N(C)C)cc1)N(CC)CC
InChIInChI=1S/C16H32N4P/c1-7-19(8-2)21(17,20(9-3)10-4)16-13-11-15(12-14-16)18(5)6/h11-14H,7-10,17H2,1-6H3/q+1
InChIKeyMJUXZYPVBHJDOU-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.78
Rot. Bonds8

About amino-bis(diethylamino)-[4-(dimethylamino)phenyl]phosphanium

amino-bis(diethylamino)-[4-(dimethylamino)phenyl]phosphanium (PubChem CID 3766202) has the molecular formula C16H32N4P+ and a molecular weight of 311.43 g/mol. Its IUPAC name is amino-bis(diethylamino)-[4-(dimethylamino)phenyl]phosphanium.

Molecular Properties

Compound Nameamino-bis(diethylamino)-[4-(dimethylamino)phenyl]phosphanium
PubChem CID3766202
Molecular FormulaC16H32N4P+
Molecular Weight311.43 g/mol
Exact Mass311.24
IUPAC Nameamino-bis(diethylamino)-[4-(dimethylamino)phenyl]phosphanium
SMILESCCN(CC)[P+](N)(c1ccc(N(C)C)cc1)N(CC)CC
InChIInChI=1S/C16H32N4P/c1-7-19(8-2)21(17,20(9-3)10-4)16-13-11-15(12-14-16)18(5)6/h11-14H,7-10,17H2,1-6H3/q+1
InChIKeyMJUXZYPVBHJDOU-UHFFFAOYSA-N
XLogP2.78
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethylaniline
CID 949
N-Ethylaniline
CID 7670
N,N-dimethyl-p-phenylenediamine
CID 7472
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N-Diethylaniline
CID 7061
N,N,N',N'-tetramethyl-p-phenylenediamine
CID 7490
1,1-Dimethyl-4-phenylpiperazinium iodide
CID 5911
Trimethylphenylammonium iodide
CID 94135
3,5-Diethyl-1-phenyl-2-propyl-1,2-dihydropyridine
CID 118703
N-Butylaniline
CID 14310
N,N-Diethyl-p-phenylenediamine hydrochloride
CID 75145
Phenyltrimethylammonium chloride
CID 67309

Frequently Asked Questions

What is the IUPAC name of amino-bis(diethylamino)-[4-(dimethylamino)phenyl]phosphanium?
The IUPAC name of amino-bis(diethylamino)-[4-(dimethylamino)phenyl]phosphanium (CID 3766202) is amino-bis(diethylamino)-[4-(dimethylamino)phenyl]phosphanium.
What is the SMILES notation for amino-bis(diethylamino)-[4-(dimethylamino)phenyl]phosphanium?
The canonical SMILES for amino-bis(diethylamino)-[4-(dimethylamino)phenyl]phosphanium is CCN(CC)[P+](N)(c1ccc(N(C)C)cc1)N(CC)CC.
What is the InChIKey of amino-bis(diethylamino)-[4-(dimethylamino)phenyl]phosphanium?
The InChIKey is MJUXZYPVBHJDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4P/c1-7-19(8-2)21(17,20(9-3)10-4)16-13-11-15(12-14-16)18(5)6/h11-14H,7-10,17H2,1-6H3/q+1.
What are the key properties of amino-bis(diethylamino)-[4-(dimethylamino)phenyl]phosphanium?
amino-bis(diethylamino)-[4-(dimethylamino)phenyl]phosphanium has a molecular weight of 311.43 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-bis(diethylamino)-[4-(dimethylamino)phenyl]phosphanium is sourced from PubChem (CID 3766202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).