disodium;[(octadecylamino)-phenylmethyl]-trioxidophosphanium

C25H44NNa2O3P — CID 101225675

IUPACdisodium;[(octadecylamino)-phenylmethyl]-trioxidophosphanium
SMILESCCCCCCCCCCCCCCCCCCNC(c1ccccc1)[P+]([O-])([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C25H46NO3P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-25(30(27,28)29)24-21-18-17-19-22-24;;/h17-19,21-22,25-26H,2-16,20,23H2,1H3,(H2,27,28,29);;/q;2*+1/p-2
InChIKeyKOFFFPUQSWYAQG-UHFFFAOYSA-L
MW483.59 g/mol
LogP-0.61
Rot. Bonds20

About disodium;[(octadecylamino)-phenylmethyl]-trioxidophosphanium

disodium;[(octadecylamino)-phenylmethyl]-trioxidophosphanium (PubChem CID 101225675) has the molecular formula C25H44NNa2O3P and a molecular weight of 483.59 g/mol. Its IUPAC name is disodium;[(octadecylamino)-phenylmethyl]-trioxidophosphanium.

Molecular Properties

Compound Namedisodium;[(octadecylamino)-phenylmethyl]-trioxidophosphanium
PubChem CID101225675
Molecular FormulaC25H44NNa2O3P
Molecular Weight483.59 g/mol
Exact Mass483.29
IUPAC Namedisodium;[(octadecylamino)-phenylmethyl]-trioxidophosphanium
SMILESCCCCCCCCCCCCCCCCCCNC(c1ccccc1)[P+]([O-])([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C25H46NO3P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-25(30(27,28)29)24-21-18-17-19-22-24;;/h17-19,21-22,25-26H,2-16,20,23H2,1H3,(H2,27,28,29);;/q;2*+1/p-2
InChIKeyKOFFFPUQSWYAQG-UHFFFAOYSA-L
XLogP-0.61
TPSA81.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-benzhydryldecan-1-amine
CID 57251579
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-benzhydrylhexan-1-amine;hydrate
CID 173442267
N-benzhydrylhexan-1-amine;hydrochloride
CID 173426900
N-benzhydryloctan-1-amine;hydrate
CID 173441566
N-benzhydryldecan-1-amine;hydrochloride
CID 173427301
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-dodecyl-1-phenylethane-1,2-diamine
CID 146442827
N-[(1S)-1-phenylprop-2-enyl]hexan-1-amine
CID 11830897

Frequently Asked Questions

What is the IUPAC name of disodium;[(octadecylamino)-phenylmethyl]-trioxidophosphanium?
The IUPAC name of disodium;[(octadecylamino)-phenylmethyl]-trioxidophosphanium (CID 101225675) is disodium;[(octadecylamino)-phenylmethyl]-trioxidophosphanium.
What is the SMILES notation for disodium;[(octadecylamino)-phenylmethyl]-trioxidophosphanium?
The canonical SMILES for disodium;[(octadecylamino)-phenylmethyl]-trioxidophosphanium is CCCCCCCCCCCCCCCCCCNC(c1ccccc1)[P+]([O-])([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;[(octadecylamino)-phenylmethyl]-trioxidophosphanium?
The InChIKey is KOFFFPUQSWYAQG-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H46NO3P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-25(30(27,28)29)24-21-18-17-19-22-24;;/h17-19,21-22,25-26H,2-16,20,23H2,1H3,(H2,27,28,29);;/q;2*+1/p-2.
What are the key properties of disodium;[(octadecylamino)-phenylmethyl]-trioxidophosphanium?
disodium;[(octadecylamino)-phenylmethyl]-trioxidophosphanium has a molecular weight of 483.59 g/mol, XLogP of -0.61, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[(octadecylamino)-phenylmethyl]-trioxidophosphanium is sourced from PubChem (CID 101225675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).