butyl-[5-(hexanoylamino)pentyl]phosphinic acid

C15H32NO3P — CID 170966212

IUPACbutyl-[5-(hexanoylamino)pentyl]phosphinic acid
SMILESCCCCCC(=O)NCCCCCP(=O)(O)CCCC
InChIInChI=1S/C15H32NO3P/c1-3-5-8-11-15(17)16-12-9-7-10-14-20(18,19)13-6-4-2/h3-14H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDTFNGEMLCCEUMR-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.92
Rot. Bonds13

About butyl-[5-(hexanoylamino)pentyl]phosphinic acid

butyl-[5-(hexanoylamino)pentyl]phosphinic acid (PubChem CID 170966212) has the molecular formula C15H32NO3P and a molecular weight of 305.40 g/mol. Its IUPAC name is butyl-[5-(hexanoylamino)pentyl]phosphinic acid.

Molecular Properties

Compound Namebutyl-[5-(hexanoylamino)pentyl]phosphinic acid
PubChem CID170966212
Molecular FormulaC15H32NO3P
Molecular Weight305.40 g/mol
Exact Mass305.21
IUPAC Namebutyl-[5-(hexanoylamino)pentyl]phosphinic acid
SMILESCCCCCC(=O)NCCCCCP(=O)(O)CCCC
InChIInChI=1S/C15H32NO3P/c1-3-5-8-11-15(17)16-12-9-7-10-14-20(18,19)13-6-4-2/h3-14H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDTFNGEMLCCEUMR-UHFFFAOYSA-N
XLogP3.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

carbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid
CID 160559834
N-hexadecylhexanamide
CID 4953738
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783

Frequently Asked Questions

What is the IUPAC name of butyl-[5-(hexanoylamino)pentyl]phosphinic acid?
The IUPAC name of butyl-[5-(hexanoylamino)pentyl]phosphinic acid (CID 170966212) is butyl-[5-(hexanoylamino)pentyl]phosphinic acid.
What is the SMILES notation for butyl-[5-(hexanoylamino)pentyl]phosphinic acid?
The canonical SMILES for butyl-[5-(hexanoylamino)pentyl]phosphinic acid is CCCCCC(=O)NCCCCCP(=O)(O)CCCC.
What is the InChIKey of butyl-[5-(hexanoylamino)pentyl]phosphinic acid?
The InChIKey is DTFNGEMLCCEUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32NO3P/c1-3-5-8-11-15(17)16-12-9-7-10-14-20(18,19)13-6-4-2/h3-14H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of butyl-[5-(hexanoylamino)pentyl]phosphinic acid?
butyl-[5-(hexanoylamino)pentyl]phosphinic acid has a molecular weight of 305.40 g/mol, XLogP of 3.92, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[5-(hexanoylamino)pentyl]phosphinic acid is sourced from PubChem (CID 170966212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).