(dibutylamino)-tris(propan-2-ylamino)phosphanium iodide

C17H42IN4P — CID 87654720

IUPAC(dibutylamino)-tris(propan-2-ylamino)phosphanium iodide
SMILESCCCCN(CCCC)[P+](NC(C)C)(NC(C)C)NC(C)C.[I-]
InChIInChI=1S/C17H42N4P.HI/c1-9-11-13-21(14-12-10-2)22(18-15(3)4,19-16(5)6)20-17(7)8;/h15-20H,9-14H2,1-8H3;1H/q+1;/p-1
InChIKeyLJCAAFAOSSIKTD-UHFFFAOYSA-M
MW460.43 g/mol
LogP1.56
Rot. Bonds13

About (dibutylamino)-tris(propan-2-ylamino)phosphanium iodide

(dibutylamino)-tris(propan-2-ylamino)phosphanium iodide (PubChem CID 87654720) has the molecular formula C17H42IN4P and a molecular weight of 460.43 g/mol. Its IUPAC name is (dibutylamino)-tris(propan-2-ylamino)phosphanium iodide.

Molecular Properties

Compound Name(dibutylamino)-tris(propan-2-ylamino)phosphanium iodide
PubChem CID87654720
Molecular FormulaC17H42IN4P
Molecular Weight460.43 g/mol
Exact Mass460.22
IUPAC Name(dibutylamino)-tris(propan-2-ylamino)phosphanium iodide
SMILESCCCCN(CCCC)[P+](NC(C)C)(NC(C)C)NC(C)C.[I-]
InChIInChI=1S/C17H42N4P.HI/c1-9-11-13-21(14-12-10-2)22(18-15(3)4,19-16(5)6)20-17(7)8;/h15-20H,9-14H2,1-8H3;1H/q+1;/p-1
InChIKeyLJCAAFAOSSIKTD-UHFFFAOYSA-M
XLogP1.56
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.43
LogP ≤ 51.56
H-Bond Donors ≤ 53
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

1,1-dibutyl-2-propan-2-ylhydrazine
CID 21407863
N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62424956
tributyl(methyl)phosphanium iodide
CID 2760114
N-propan-2-ylbutan-1-amine chloride
CID 19629099
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
N-butyl-N-(2-chloroethyl)-3-methylbutan-1-amine
CID 63389517
2-(2,2-dibutylhydrazinyl)propan-1-amine
CID 146501900
(2S)-N,N-dibutylhexan-2-amine
CID 124633708

Frequently Asked Questions

What is the IUPAC name of (dibutylamino)-tris(propan-2-ylamino)phosphanium iodide?
The IUPAC name of (dibutylamino)-tris(propan-2-ylamino)phosphanium iodide (CID 87654720) is (dibutylamino)-tris(propan-2-ylamino)phosphanium iodide.
What is the SMILES notation for (dibutylamino)-tris(propan-2-ylamino)phosphanium iodide?
The canonical SMILES for (dibutylamino)-tris(propan-2-ylamino)phosphanium iodide is CCCCN(CCCC)[P+](NC(C)C)(NC(C)C)NC(C)C.[I-].
What is the InChIKey of (dibutylamino)-tris(propan-2-ylamino)phosphanium iodide?
The InChIKey is LJCAAFAOSSIKTD-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H42N4P.HI/c1-9-11-13-21(14-12-10-2)22(18-15(3)4,19-16(5)6)20-17(7)8;/h15-20H,9-14H2,1-8H3;1H/q+1;/p-1.
What are the key properties of (dibutylamino)-tris(propan-2-ylamino)phosphanium iodide?
(dibutylamino)-tris(propan-2-ylamino)phosphanium iodide has a molecular weight of 460.43 g/mol, XLogP of 1.56, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (dibutylamino)-tris(propan-2-ylamino)phosphanium iodide is sourced from PubChem (CID 87654720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).