[heptyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium

C9H20NO6P2-3 — CID 136756670

IUPAC[heptyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium
SMILESCCCCCCCN(C[P+]([O-])([O-])[O-])C[P+]([O-])([O-])O
InChIInChI=1S/C9H23NO6P2/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16)/p-3
InChIKeyGIFYDPWFQBDXKA-UHFFFAOYSA-K
MW300.21 g/mol
LogP-2.51
Rot. Bonds10

About [heptyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium

[heptyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium (PubChem CID 136756670) has the molecular formula C9H20NO6P2-3 and a molecular weight of 300.21 g/mol. Its IUPAC name is [heptyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium.

Molecular Properties

Compound Name[heptyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium
PubChem CID136756670
Molecular FormulaC9H20NO6P2-3
Molecular Weight300.21 g/mol
Exact Mass300.08
IUPAC Name[heptyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium
SMILESCCCCCCCN(C[P+]([O-])([O-])[O-])C[P+]([O-])([O-])O
InChIInChI=1S/C9H23NO6P2/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16)/p-3
InChIKeyGIFYDPWFQBDXKA-UHFFFAOYSA-K
XLogP-2.51
TPSA138.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 5-2.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[butyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium
CID 136707771
2-(dioctylamino)ethane-1,1-diol
CID 87744502
1-[5-[2-hydroxypropyl(nonyl)amino]pentyl-nonylamino]propan-2-ol
CID 175685143
1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride
CID 175112776
2-[docosyl(ethyl)amino]ethane-1,1-diol
CID 175231954
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylhexadecan-1-amine
CID 139723811

Frequently Asked Questions

What is the IUPAC name of [heptyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium?
The IUPAC name of [heptyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium (CID 136756670) is [heptyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium.
What is the SMILES notation for [heptyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium?
The canonical SMILES for [heptyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium is CCCCCCCN(C[P+]([O-])([O-])[O-])C[P+]([O-])([O-])O.
What is the InChIKey of [heptyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium?
The InChIKey is GIFYDPWFQBDXKA-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H23NO6P2/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16)/p-3.
What are the key properties of [heptyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium?
[heptyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium has a molecular weight of 300.21 g/mol, XLogP of -2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [heptyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium is sourced from PubChem (CID 136756670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).