tris[butyl(methyl)amino]-(2,2-dimethoxyethylamino)phosphanium

C19H46N4O2P+ — CID 87655555

IUPACtris[butyl(methyl)amino]-(2,2-dimethoxyethylamino)phosphanium
SMILESCCCCN(C)[P+](NCC(OC)OC)(N(C)CCCC)N(C)CCCC
InChIInChI=1S/C19H46N4O2P/c1-9-12-15-21(4)26(22(5)16-13-10-2,23(6)17-14-11-3)20-18-19(24-7)25-8/h19-20H,9-18H2,1-8H3/q+1
InChIKeyPTEYZMNFSBEVRU-UHFFFAOYSA-N
MW393.58 g/mol
LogP4.07
Rot. Bonds17

About tris[butyl(methyl)amino]-(2,2-dimethoxyethylamino)phosphanium

tris[butyl(methyl)amino]-(2,2-dimethoxyethylamino)phosphanium (PubChem CID 87655555) has the molecular formula C19H46N4O2P+ and a molecular weight of 393.58 g/mol. Its IUPAC name is tris[butyl(methyl)amino]-(2,2-dimethoxyethylamino)phosphanium.

Molecular Properties

Compound Nametris[butyl(methyl)amino]-(2,2-dimethoxyethylamino)phosphanium
PubChem CID87655555
Molecular FormulaC19H46N4O2P+
Molecular Weight393.58 g/mol
Exact Mass393.34
IUPAC Nametris[butyl(methyl)amino]-(2,2-dimethoxyethylamino)phosphanium
SMILESCCCCN(C)[P+](NCC(OC)OC)(N(C)CCCC)N(C)CCCC
InChIInChI=1S/C19H46N4O2P/c1-9-12-15-21(4)26(22(5)16-13-10-2,23(6)17-14-11-3)20-18-19(24-7)25-8/h19-20H,9-18H2,1-8H3/q+1
InChIKeyPTEYZMNFSBEVRU-UHFFFAOYSA-N
XLogP4.07
TPSA40.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tris[butyl(methyl)amino]-(1,1-dimethoxyethylamino)phosphanium
CID 87655552
N-(2,2-dimethoxyethyl)heptan-3-amine
CID 63944758
N-(2,2-dimethoxyethyl)dodecan-1-amine
CID 10308222
tris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide
CID 87653156
N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine
CID 66222322
butyl(2,2-dimethoxyethyl)tin
CID 87372194
2-(2,2-dimethoxyethylamino)-N-ethyl-N-methylacetamide
CID 107813321
1,1-dimethoxytetradecane
CID 13265409
N-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine
CID 112704508
methyl 2-(dibutylamino)-2-hydroxyacetate
CID 139781491
methyl 4-[butyl(methyl)amino]-2-(propylamino)butanoate
CID 63027533
butyl(3,3-dimethoxypropyl)tin
CID 87371389

Frequently Asked Questions

What is the IUPAC name of tris[butyl(methyl)amino]-(2,2-dimethoxyethylamino)phosphanium?
The IUPAC name of tris[butyl(methyl)amino]-(2,2-dimethoxyethylamino)phosphanium (CID 87655555) is tris[butyl(methyl)amino]-(2,2-dimethoxyethylamino)phosphanium.
What is the SMILES notation for tris[butyl(methyl)amino]-(2,2-dimethoxyethylamino)phosphanium?
The canonical SMILES for tris[butyl(methyl)amino]-(2,2-dimethoxyethylamino)phosphanium is CCCCN(C)[P+](NCC(OC)OC)(N(C)CCCC)N(C)CCCC.
What is the InChIKey of tris[butyl(methyl)amino]-(2,2-dimethoxyethylamino)phosphanium?
The InChIKey is PTEYZMNFSBEVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H46N4O2P/c1-9-12-15-21(4)26(22(5)16-13-10-2,23(6)17-14-11-3)20-18-19(24-7)25-8/h19-20H,9-18H2,1-8H3/q+1.
What are the key properties of tris[butyl(methyl)amino]-(2,2-dimethoxyethylamino)phosphanium?
tris[butyl(methyl)amino]-(2,2-dimethoxyethylamino)phosphanium has a molecular weight of 393.58 g/mol, XLogP of 4.07, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[butyl(methyl)amino]-(2,2-dimethoxyethylamino)phosphanium is sourced from PubChem (CID 87655555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).