methoxy-[5-(propylamino)pentyl]phosphinic acid

C9H22NO3P — CID 155661203

IUPACmethoxy-[5-(propylamino)pentyl]phosphinic acid
SMILESCCCNCCCCCP(=O)(O)OC
InChIInChI=1S/C9H22NO3P/c1-3-7-10-8-5-4-6-9-14(11,12)13-2/h10H,3-9H2,1-2H3,(H,11,12)
InChIKeyKKCSKBZELWYCAP-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.99
Rot. Bonds9

About methoxy-[5-(propylamino)pentyl]phosphinic acid

methoxy-[5-(propylamino)pentyl]phosphinic acid (PubChem CID 155661203) has the molecular formula C9H22NO3P and a molecular weight of 223.25 g/mol. Its IUPAC name is methoxy-[5-(propylamino)pentyl]phosphinic acid.

Molecular Properties

Compound Namemethoxy-[5-(propylamino)pentyl]phosphinic acid
PubChem CID155661203
Molecular FormulaC9H22NO3P
Molecular Weight223.25 g/mol
Exact Mass223.13
IUPAC Namemethoxy-[5-(propylamino)pentyl]phosphinic acid
SMILESCCCNCCCCCP(=O)(O)OC
InChIInChI=1S/C9H22NO3P/c1-3-7-10-8-5-4-6-9-14(11,12)13-2/h10H,3-9H2,1-2H3,(H,11,12)
InChIKeyKKCSKBZELWYCAP-UHFFFAOYSA-N
XLogP1.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-(heptylamino)butyl-methoxyphosphinic acid
CID 155661218
decyl(methoxy)phosphinic acid
CID 54568982
6-(butylamino)hexyl-ethoxyphosphinic acid
CID 155661164
ethoxy-[3-(octylamino)propyl]phosphinic acid
CID 155661215
2-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid
CID 155661196
N-octylheptadecan-1-amine;phosphoric acid
CID 174994619
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid
CID 155661193
4-(cyclohexylamino)butyl-methoxyphosphinic acid
CID 155661244
5-(propylamino)pentyl carbamate
CID 175255674
N-propylhexadecan-1-amine
CID 18792182
N-[5-[5-(propylamino)pentylamino]pentyl]propanamide
CID 58435562

Frequently Asked Questions

What is the IUPAC name of methoxy-[5-(propylamino)pentyl]phosphinic acid?
The IUPAC name of methoxy-[5-(propylamino)pentyl]phosphinic acid (CID 155661203) is methoxy-[5-(propylamino)pentyl]phosphinic acid.
What is the SMILES notation for methoxy-[5-(propylamino)pentyl]phosphinic acid?
The canonical SMILES for methoxy-[5-(propylamino)pentyl]phosphinic acid is CCCNCCCCCP(=O)(O)OC.
What is the InChIKey of methoxy-[5-(propylamino)pentyl]phosphinic acid?
The InChIKey is KKCSKBZELWYCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO3P/c1-3-7-10-8-5-4-6-9-14(11,12)13-2/h10H,3-9H2,1-2H3,(H,11,12).
What are the key properties of methoxy-[5-(propylamino)pentyl]phosphinic acid?
methoxy-[5-(propylamino)pentyl]phosphinic acid has a molecular weight of 223.25 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[5-(propylamino)pentyl]phosphinic acid is sourced from PubChem (CID 155661203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).