tris[butyl(methyl)amino]-(1,1-dimethoxyethylamino)phosphanium

C19H46N4O2P+ — CID 87655552

IUPACtris[butyl(methyl)amino]-(1,1-dimethoxyethylamino)phosphanium
SMILESCCCCN(C)[P+](NC(C)(OC)OC)(N(C)CCCC)N(C)CCCC
InChIInChI=1S/C19H46N4O2P/c1-10-13-16-21(5)26(22(6)17-14-11-2,23(7)18-15-12-3)20-19(4,24-8)25-9/h20H,10-18H2,1-9H3/q+1
InChIKeyIYISNMNXMDGEKJ-UHFFFAOYSA-N
MW393.58 g/mol
LogP4.42
Rot. Bonds16

About tris[butyl(methyl)amino]-(1,1-dimethoxyethylamino)phosphanium

tris[butyl(methyl)amino]-(1,1-dimethoxyethylamino)phosphanium (PubChem CID 87655552) has the molecular formula C19H46N4O2P+ and a molecular weight of 393.58 g/mol. Its IUPAC name is tris[butyl(methyl)amino]-(1,1-dimethoxyethylamino)phosphanium.

Molecular Properties

Compound Nametris[butyl(methyl)amino]-(1,1-dimethoxyethylamino)phosphanium
PubChem CID87655552
Molecular FormulaC19H46N4O2P+
Molecular Weight393.58 g/mol
Exact Mass393.34
IUPAC Nametris[butyl(methyl)amino]-(1,1-dimethoxyethylamino)phosphanium
SMILESCCCCN(C)[P+](NC(C)(OC)OC)(N(C)CCCC)N(C)CCCC
InChIInChI=1S/C19H46N4O2P/c1-10-13-16-21(5)26(22(6)17-14-11-2,23(7)18-15-12-3)20-19(4,24-8)25-9/h20H,10-18H2,1-9H3/q+1
InChIKeyIYISNMNXMDGEKJ-UHFFFAOYSA-N
XLogP4.42
TPSA40.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 54.42
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]-(2,2-dimethoxyethylamino)phosphanium
CID 87655555
methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate
CID 64725725
tris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide
CID 87653156
2-methoxy-2-methylpropane;pentane
CID 22145886
1,1,1-trimethoxydecan-2-amine
CID 150913764
N-tert-butyl-N-methylbutan-1-amine;2-methylpropane
CID 158127405
2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62558337
N-butyl-N-(1,1-dimethoxypropyl)butan-1-amine
CID 173044621
methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate
CID 79624643
N'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine
CID 103034042
3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114356500
methyl 2-(dibutylamino)-2-hydroxyacetate
CID 139781491

Frequently Asked Questions

What is the IUPAC name of tris[butyl(methyl)amino]-(1,1-dimethoxyethylamino)phosphanium?
The IUPAC name of tris[butyl(methyl)amino]-(1,1-dimethoxyethylamino)phosphanium (CID 87655552) is tris[butyl(methyl)amino]-(1,1-dimethoxyethylamino)phosphanium.
What is the SMILES notation for tris[butyl(methyl)amino]-(1,1-dimethoxyethylamino)phosphanium?
The canonical SMILES for tris[butyl(methyl)amino]-(1,1-dimethoxyethylamino)phosphanium is CCCCN(C)[P+](NC(C)(OC)OC)(N(C)CCCC)N(C)CCCC.
What is the InChIKey of tris[butyl(methyl)amino]-(1,1-dimethoxyethylamino)phosphanium?
The InChIKey is IYISNMNXMDGEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H46N4O2P/c1-10-13-16-21(5)26(22(6)17-14-11-2,23(7)18-15-12-3)20-19(4,24-8)25-9/h20H,10-18H2,1-9H3/q+1.
What are the key properties of tris[butyl(methyl)amino]-(1,1-dimethoxyethylamino)phosphanium?
tris[butyl(methyl)amino]-(1,1-dimethoxyethylamino)phosphanium has a molecular weight of 393.58 g/mol, XLogP of 4.42, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[butyl(methyl)amino]-(1,1-dimethoxyethylamino)phosphanium is sourced from PubChem (CID 87655552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).