N-[bis(dimethylamino)phosphoryl]-N-diethoxyphosphorylethanamine

C10H27N3O4P2 — CID 3042455

IUPACN-[bis(dimethylamino)phosphoryl]-N-diethoxyphosphorylethanamine
SMILESCCOP(=O)(OCC)N(CC)P(=O)(N(C)C)N(C)C
InChIInChI=1S/C10H27N3O4P2/c1-8-13(18(14,11(4)5)12(6)7)19(15,16-9-2)17-10-3/h8-10H2,1-7H3
InChIKeyOXZMGNSOGXVUTQ-UHFFFAOYSA-N
MW315.29 g/mol
LogP2.72
Rot. Bonds9

About N-[bis(dimethylamino)phosphoryl]-N-diethoxyphosphorylethanamine

N-[bis(dimethylamino)phosphoryl]-N-diethoxyphosphorylethanamine (PubChem CID 3042455) has the molecular formula C10H27N3O4P2 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[bis(dimethylamino)phosphoryl]-N-diethoxyphosphorylethanamine.

Molecular Properties

Compound NameN-[bis(dimethylamino)phosphoryl]-N-diethoxyphosphorylethanamine
PubChem CID3042455
Molecular FormulaC10H27N3O4P2
Molecular Weight315.29 g/mol
Exact Mass315.15
IUPAC NameN-[bis(dimethylamino)phosphoryl]-N-diethoxyphosphorylethanamine
SMILESCCOP(=O)(OCC)N(CC)P(=O)(N(C)C)N(C)C
InChIInChI=1S/C10H27N3O4P2/c1-8-13(18(14,11(4)5)12(6)7)19(15,16-9-2)17-10-3/h8-10H2,1-7H3
InChIKeyOXZMGNSOGXVUTQ-UHFFFAOYSA-N
XLogP2.72
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[bis(dimethylamino)phosphoryl]-N-diethoxyphosphorylethanamine?
The IUPAC name of N-[bis(dimethylamino)phosphoryl]-N-diethoxyphosphorylethanamine (CID 3042455) is N-[bis(dimethylamino)phosphoryl]-N-diethoxyphosphorylethanamine.
What is the SMILES notation for N-[bis(dimethylamino)phosphoryl]-N-diethoxyphosphorylethanamine?
The canonical SMILES for N-[bis(dimethylamino)phosphoryl]-N-diethoxyphosphorylethanamine is CCOP(=O)(OCC)N(CC)P(=O)(N(C)C)N(C)C.
What is the InChIKey of N-[bis(dimethylamino)phosphoryl]-N-diethoxyphosphorylethanamine?
The InChIKey is OXZMGNSOGXVUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H27N3O4P2/c1-8-13(18(14,11(4)5)12(6)7)19(15,16-9-2)17-10-3/h8-10H2,1-7H3.
What are the key properties of N-[bis(dimethylamino)phosphoryl]-N-diethoxyphosphorylethanamine?
N-[bis(dimethylamino)phosphoryl]-N-diethoxyphosphorylethanamine has a molecular weight of 315.29 g/mol, XLogP of 2.72, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(dimethylamino)phosphoryl]-N-diethoxyphosphorylethanamine is sourced from PubChem (CID 3042455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).