4-(cyclohexylamino)butyl-methoxyphosphinic acid

C11H24NO3P — CID 155661244

IUPAC4-(cyclohexylamino)butyl-methoxyphosphinic acid
SMILESCOP(=O)(O)CCCCNC1CCCCC1
InChIInChI=1S/C11H24NO3P/c1-15-16(13,14)10-6-5-9-12-11-7-3-2-4-8-11/h11-12H,2-10H2,1H3,(H,13,14)
InChIKeyHWFCXOBLCOZWLX-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.52
Rot. Bonds7

About 4-(cyclohexylamino)butyl-methoxyphosphinic acid

4-(cyclohexylamino)butyl-methoxyphosphinic acid (PubChem CID 155661244) has the molecular formula C11H24NO3P and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-(cyclohexylamino)butyl-methoxyphosphinic acid.

Molecular Properties

Compound Name4-(cyclohexylamino)butyl-methoxyphosphinic acid
PubChem CID155661244
Molecular FormulaC11H24NO3P
Molecular Weight249.29 g/mol
Exact Mass249.15
IUPAC Name4-(cyclohexylamino)butyl-methoxyphosphinic acid
SMILESCOP(=O)(O)CCCCNC1CCCCC1
InChIInChI=1S/C11H24NO3P/c1-15-16(13,14)10-6-5-9-12-11-7-3-2-4-8-11/h11-12H,2-10H2,1H3,(H,13,14)
InChIKeyHWFCXOBLCOZWLX-UHFFFAOYSA-N
XLogP2.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.52
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

N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
methyl N-[2-(cycloheptylamino)ethyl]carbamate
CID 115306508
methoxy-[5-(propylamino)pentyl]phosphinic acid
CID 155661203
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
N-propylcyclohexanamine;sulfuric acid
CID 22994805
4-(cycloheptylamino)butanoic acid
CID 43377987
3-[[1-(cyclohexylamino)-3,3-dimethyl-1-oxohex-5-en-2-yl]amino]propyl-methoxyphosphinic acid
CID 72702507
4-(heptylamino)butyl-methoxyphosphinic acid
CID 155661218
3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide
CID 109015383
N-dodecylcyclohexanamine
CID 3679395

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)butyl-methoxyphosphinic acid?
The IUPAC name of 4-(cyclohexylamino)butyl-methoxyphosphinic acid (CID 155661244) is 4-(cyclohexylamino)butyl-methoxyphosphinic acid.
What is the SMILES notation for 4-(cyclohexylamino)butyl-methoxyphosphinic acid?
The canonical SMILES for 4-(cyclohexylamino)butyl-methoxyphosphinic acid is COP(=O)(O)CCCCNC1CCCCC1.
What is the InChIKey of 4-(cyclohexylamino)butyl-methoxyphosphinic acid?
The InChIKey is HWFCXOBLCOZWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO3P/c1-15-16(13,14)10-6-5-9-12-11-7-3-2-4-8-11/h11-12H,2-10H2,1H3,(H,13,14).
What are the key properties of 4-(cyclohexylamino)butyl-methoxyphosphinic acid?
4-(cyclohexylamino)butyl-methoxyphosphinic acid has a molecular weight of 249.29 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)butyl-methoxyphosphinic acid is sourced from PubChem (CID 155661244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).