1-[amino(octyl)phosphoryl]octane

C16H36NOP — CID 87396731

IUPAC1-[amino(octyl)phosphoryl]octane
SMILESCCCCCCCCP(N)(=O)CCCCCCCC
InChIInChI=1S/C16H36NOP/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H2,17,18)
InChIKeyPRUPUUMZPHERNM-UHFFFAOYSA-N
MW289.44 g/mol
LogP5.94
Rot. Bonds14

About 1-[amino(octyl)phosphoryl]octane

1-[amino(octyl)phosphoryl]octane (PubChem CID 87396731) has the molecular formula C16H36NOP and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-[amino(octyl)phosphoryl]octane.

Molecular Properties

Compound Name1-[amino(octyl)phosphoryl]octane
PubChem CID87396731
Molecular FormulaC16H36NOP
Molecular Weight289.44 g/mol
Exact Mass289.25
IUPAC Name1-[amino(octyl)phosphoryl]octane
SMILESCCCCCCCCP(N)(=O)CCCCCCCC
InChIInChI=1S/C16H36NOP/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H2,17,18)
InChIKeyPRUPUUMZPHERNM-UHFFFAOYSA-N
XLogP5.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.44
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-[amino(octyl)phosphoryl]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dioxido-oxo-tridecyl-λ5-phosphane
CID 23340102
1-didodecylphosphoryldodecane
CID 12543829
1-dihexylphosphorylhexane;1-dioctylphosphoryloctane
CID 121237547
cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane
CID 23340104
calcium hexadecyl-dioxido-oxo-λ5-phosphane
CID 87400108
magnesium dodecyl-dioxido-oxo-λ5-phosphane
CID 165391544
hexylphosphonic acid;octylphosphonic acid
CID 155346901
1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026
1-dihexoxyphosphoryltetradecane
CID 151638840
1-dioctoxyphosphoryldecane
CID 141369437
1-didecoxyphosphoryltetradecane
CID 151616748

Frequently Asked Questions

What is the IUPAC name of 1-[amino(octyl)phosphoryl]octane?
The IUPAC name of 1-[amino(octyl)phosphoryl]octane (CID 87396731) is 1-[amino(octyl)phosphoryl]octane.
What is the SMILES notation for 1-[amino(octyl)phosphoryl]octane?
The canonical SMILES for 1-[amino(octyl)phosphoryl]octane is CCCCCCCCP(N)(=O)CCCCCCCC.
What is the InChIKey of 1-[amino(octyl)phosphoryl]octane?
The InChIKey is PRUPUUMZPHERNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36NOP/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H2,17,18).
What are the key properties of 1-[amino(octyl)phosphoryl]octane?
1-[amino(octyl)phosphoryl]octane has a molecular weight of 289.44 g/mol, XLogP of 5.94, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(octyl)phosphoryl]octane is sourced from PubChem (CID 87396731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).