methyl-[[methyl(6-oxoheptyl)amino]methyl]phosphinic acid

C10H22NO3P — CID 165011918

IUPACmethyl-[[methyl(6-oxoheptyl)amino]methyl]phosphinic acid
SMILESCC(=O)CCCCCN(C)CP(C)(=O)O
InChIInChI=1S/C10H22NO3P/c1-10(12)7-5-4-6-8-11(2)9-15(3,13)14/h4-9H2,1-3H3,(H,13,14)
InChIKeyTVDOIELOEVLPJU-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.93
Rot. Bonds8

About methyl-[[methyl(6-oxoheptyl)amino]methyl]phosphinic acid

methyl-[[methyl(6-oxoheptyl)amino]methyl]phosphinic acid (PubChem CID 165011918) has the molecular formula C10H22NO3P and a molecular weight of 235.26 g/mol. Its IUPAC name is methyl-[[methyl(6-oxoheptyl)amino]methyl]phosphinic acid.

Molecular Properties

Compound Namemethyl-[[methyl(6-oxoheptyl)amino]methyl]phosphinic acid
PubChem CID165011918
Molecular FormulaC10H22NO3P
Molecular Weight235.26 g/mol
Exact Mass235.13
IUPAC Namemethyl-[[methyl(6-oxoheptyl)amino]methyl]phosphinic acid
SMILESCC(=O)CCCCCN(C)CP(C)(=O)O
InChIInChI=1S/C10H22NO3P/c1-10(12)7-5-4-6-8-11(2)9-15(3,13)14/h4-9H2,1-3H3,(H,13,14)
InChIKeyTVDOIELOEVLPJU-UHFFFAOYSA-N
XLogP1.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
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

6-[3-(dimethylamino)propyl-methylamino]hexan-2-one
CID 63700931
7-[diphenoxyphosphorylmethyl(methyl)amino]heptan-2-one
CID 164745904
7-[methoxymethyl(methyl)amino]heptan-2-one
CID 164746042
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
7-[methyl(propan-2-yl)amino]heptan-2-one
CID 166554593
4-[methyl(pentyl)amino]butan-2-one
CID 23332894
N-dimethyl-N-(7-oxooctyl)boronamidic acid
CID 20759757
[6-[bis(phosphonomethyl)amino]hexyl-[[hydroxy(methyl)phosphoryl]methyl]amino]methylphosphonic acid
CID 59414854
10-oxo-N,N-bis(prop-2-enyl)undecanamide
CID 170397182
19-methylicos-19-en-2-one
CID 170573260
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one
CID 62050969

Frequently Asked Questions

What is the IUPAC name of methyl-[[methyl(6-oxoheptyl)amino]methyl]phosphinic acid?
The IUPAC name of methyl-[[methyl(6-oxoheptyl)amino]methyl]phosphinic acid (CID 165011918) is methyl-[[methyl(6-oxoheptyl)amino]methyl]phosphinic acid.
What is the SMILES notation for methyl-[[methyl(6-oxoheptyl)amino]methyl]phosphinic acid?
The canonical SMILES for methyl-[[methyl(6-oxoheptyl)amino]methyl]phosphinic acid is CC(=O)CCCCCN(C)CP(C)(=O)O.
What is the InChIKey of methyl-[[methyl(6-oxoheptyl)amino]methyl]phosphinic acid?
The InChIKey is TVDOIELOEVLPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO3P/c1-10(12)7-5-4-6-8-11(2)9-15(3,13)14/h4-9H2,1-3H3,(H,13,14).
What are the key properties of methyl-[[methyl(6-oxoheptyl)amino]methyl]phosphinic acid?
methyl-[[methyl(6-oxoheptyl)amino]methyl]phosphinic acid has a molecular weight of 235.26 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[methyl(6-oxoheptyl)amino]methyl]phosphinic acid is sourced from PubChem (CID 165011918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).