N'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine

C10H26N2O5P2 — CID 175151410

IUPACN'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine
SMILESCCCCOP(=O)(ONCCN)P(=O)(CC)OCC
InChIInChI=1S/C10H26N2O5P2/c1-4-7-10-16-19(14,17-12-9-8-11)18(13,6-3)15-5-2/h12H,4-11H2,1-3H3
InChIKeyAVJIVBLRDVCROC-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.73
Rot. Bonds12

About N'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine

N'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine (PubChem CID 175151410) has the molecular formula C10H26N2O5P2 and a molecular weight of 316.28 g/mol. Its IUPAC name is N'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine.

Molecular Properties

Compound NameN'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine
PubChem CID175151410
Molecular FormulaC10H26N2O5P2
Molecular Weight316.28 g/mol
Exact Mass316.13
IUPAC NameN'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine
SMILESCCCCOP(=O)(ONCCN)P(=O)(CC)OCC
InChIInChI=1S/C10H26N2O5P2/c1-4-7-10-16-19(14,17-12-9-8-11)18(13,6-3)15-5-2/h12H,4-11H2,1-3H3
InChIKeyAVJIVBLRDVCROC-UHFFFAOYSA-N
XLogP2.73
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine?
The IUPAC name of N'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine (CID 175151410) is N'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine.
What is the SMILES notation for N'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine?
The canonical SMILES for N'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine is CCCCOP(=O)(ONCCN)P(=O)(CC)OCC.
What is the InChIKey of N'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine?
The InChIKey is AVJIVBLRDVCROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N2O5P2/c1-4-7-10-16-19(14,17-12-9-8-11)18(13,6-3)15-5-2/h12H,4-11H2,1-3H3.
What are the key properties of N'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine?
N'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine has a molecular weight of 316.28 g/mol, XLogP of 2.73, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine is sourced from PubChem (CID 175151410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).