tris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide

C17H42IN4P — CID 87653156

IUPACtris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide
SMILESCCCCN(C)[P+](N(C)C)(N(C)CCCC)N(C)CCCC.[I-]
InChIInChI=1S/C17H42N4P.HI/c1-9-12-15-19(6)22(18(4)5,20(7)16-13-10-2)21(8)17-14-11-3;/h9-17H2,1-8H3;1H/q+1;/p-1
InChIKeyUEQSKGWEKHXJDR-UHFFFAOYSA-M
MW460.43 g/mol
LogP1.43
Rot. Bonds13

About tris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide

tris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide (PubChem CID 87653156) has the molecular formula C17H42IN4P and a molecular weight of 460.43 g/mol. Its IUPAC name is tris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide.

Molecular Properties

Compound Nametris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide
PubChem CID87653156
Molecular FormulaC17H42IN4P
Molecular Weight460.43 g/mol
Exact Mass460.22
IUPAC Nametris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide
SMILESCCCCN(C)[P+](N(C)C)(N(C)CCCC)N(C)CCCC.[I-]
InChIInChI=1S/C17H42N4P.HI/c1-9-12-15-19(6)22(18(4)5,20(7)16-13-10-2)21(8)17-14-11-3;/h9-17H2,1-8H3;1H/q+1;/p-1
InChIKeyUEQSKGWEKHXJDR-UHFFFAOYSA-M
XLogP1.43
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.43
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylbutan-1-amine;dihydrochloride
CID 174248401
2-[butyl(methyl)amino]propanamide
CID 60644986
1-N',1-N'-dibutylethane-1,1-diamine
CID 22600656
N,N-dimethylbutan-1-amine;ethane;methane
CID 142050981
N-butyl-N-methylpentan-1-amine
CID 54060013
N-butyl-N-methylnonan-5-amine
CID 175231488
tris[butyl(methyl)amino]-(1,1-dimethoxyethylamino)phosphanium
CID 87655552
tris[butyl(methyl)amino]-(2,2-dimethoxyethylamino)phosphanium
CID 87655555
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739
N-(fluoromethyl)-N-methylbutan-1-amine
CID 126636484
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
1,1,2,2-tetrabutylhydrazine;hydrate
CID 172702997

Frequently Asked Questions

What is the IUPAC name of tris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide?
The IUPAC name of tris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide (CID 87653156) is tris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide.
What is the SMILES notation for tris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide?
The canonical SMILES for tris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide is CCCCN(C)[P+](N(C)C)(N(C)CCCC)N(C)CCCC.[I-].
What is the InChIKey of tris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide?
The InChIKey is UEQSKGWEKHXJDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H42N4P.HI/c1-9-12-15-19(6)22(18(4)5,20(7)16-13-10-2)21(8)17-14-11-3;/h9-17H2,1-8H3;1H/q+1;/p-1.
What are the key properties of tris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide?
tris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide has a molecular weight of 460.43 g/mol, XLogP of 1.43, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide is sourced from PubChem (CID 87653156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).