1-[amino(butoxy)phosphoryl]oxybutane

C8H20NO3P — CID 13370

IUPAC1-[amino(butoxy)phosphoryl]oxybutane
SMILESCCCCOP(N)(=O)OCCCC
InChIInChI=1S/C8H20NO3P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H2,9,10)
InChIKeyBDBZFUCZCKJSIY-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.69
Rot. Bonds8

About 1-[amino(butoxy)phosphoryl]oxybutane

1-[amino(butoxy)phosphoryl]oxybutane (PubChem CID 13370) has the molecular formula C8H20NO3P and a molecular weight of 209.23 g/mol. Its IUPAC name is 1-[amino(butoxy)phosphoryl]oxybutane.

Molecular Properties

Compound Name1-[amino(butoxy)phosphoryl]oxybutane
PubChem CID13370
Molecular FormulaC8H20NO3P
Molecular Weight209.23 g/mol
Exact Mass209.12
IUPAC Name1-[amino(butoxy)phosphoryl]oxybutane
SMILESCCCCOP(N)(=O)OCCCC
InChIInChI=1S/C8H20NO3P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H2,9,10)
InChIKeyBDBZFUCZCKJSIY-UHFFFAOYSA-N
XLogP2.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.69
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

Tributyl Phosphate
CID 31357
Dibutyl hydrogen phosphite
CID 6327349
Phosphoric acid, butyl diethyl ester
CID 75956
Diethyl Phosphoramidate
CID 70605
Dibutyl methylphosphonate
CID 16994
Diisopropyl phosphoramidite
CID 80867
Phosphoric acid, dibutyl methyl ester
CID 81655
Phosphorochloridic acid, dibutyl ester
CID 94784
Ammonium dibutyl phosphate
CID 3015984
Tetraethyl imidodiphosphate
CID 12572833
1-[Amino(propoxy)phosphoryl]oxypropane
CID 566773
Tris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl) phosphate
CID 124202817

Frequently Asked Questions

What is the IUPAC name of 1-[amino(butoxy)phosphoryl]oxybutane?
The IUPAC name of 1-[amino(butoxy)phosphoryl]oxybutane (CID 13370) is 1-[amino(butoxy)phosphoryl]oxybutane.
What is the SMILES notation for 1-[amino(butoxy)phosphoryl]oxybutane?
The canonical SMILES for 1-[amino(butoxy)phosphoryl]oxybutane is CCCCOP(N)(=O)OCCCC.
What is the InChIKey of 1-[amino(butoxy)phosphoryl]oxybutane?
The InChIKey is BDBZFUCZCKJSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO3P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H2,9,10).
What are the key properties of 1-[amino(butoxy)phosphoryl]oxybutane?
1-[amino(butoxy)phosphoryl]oxybutane has a molecular weight of 209.23 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(butoxy)phosphoryl]oxybutane is sourced from PubChem (CID 13370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).