N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-1-propan-2-yloxypropan-1-amine

C22H49NO5P2 — CID 87357861

IUPACN,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-1-propan-2-yloxypropan-1-amine
SMILESCCOC(C)(OCC)PCCN(CCPC(C)(OCC)OCC)C(CC)OC(C)C
InChIInChI=1S/C22H49NO5P2/c1-10-20(28-19(6)7)23(15-17-29-21(8,24-11-2)25-12-3)16-18-30-22(9,26-13-4)27-14-5/h19-20,29-30H,10-18H2,1-9H3
InChIKeyDIKXEXPVQSZJII-UHFFFAOYSA-N
MW469.58 g/mol
LogP5.30
Rot. Bonds20

About N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-1-propan-2-yloxypropan-1-amine

N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-1-propan-2-yloxypropan-1-amine (PubChem CID 87357861) has the molecular formula C22H49NO5P2 and a molecular weight of 469.58 g/mol. Its IUPAC name is N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-1-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-1-propan-2-yloxypropan-1-amine
PubChem CID87357861
Molecular FormulaC22H49NO5P2
Molecular Weight469.58 g/mol
Exact Mass469.31
IUPAC NameN,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-1-propan-2-yloxypropan-1-amine
SMILESCCOC(C)(OCC)PCCN(CCPC(C)(OCC)OCC)C(CC)OC(C)C
InChIInChI=1S/C22H49NO5P2/c1-10-20(28-19(6)7)23(15-17-29-21(8,24-11-2)25-12-3)16-18-30-22(9,26-13-4)27-14-5/h19-20,29-30H,10-18H2,1-9H3
InChIKeyDIKXEXPVQSZJII-UHFFFAOYSA-N
XLogP5.30
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.58
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-1-propan-2-yloxypropan-1-amine?
The IUPAC name of N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-1-propan-2-yloxypropan-1-amine (CID 87357861) is N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-1-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-1-propan-2-yloxypropan-1-amine?
The canonical SMILES for N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-1-propan-2-yloxypropan-1-amine is CCOC(C)(OCC)PCCN(CCPC(C)(OCC)OCC)C(CC)OC(C)C.
What is the InChIKey of N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-1-propan-2-yloxypropan-1-amine?
The InChIKey is DIKXEXPVQSZJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49NO5P2/c1-10-20(28-19(6)7)23(15-17-29-21(8,24-11-2)25-12-3)16-18-30-22(9,26-13-4)27-14-5/h19-20,29-30H,10-18H2,1-9H3.
What are the key properties of N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-1-propan-2-yloxypropan-1-amine?
N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-1-propan-2-yloxypropan-1-amine has a molecular weight of 469.58 g/mol, XLogP of 5.30, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(1,1-diethoxyethylphosphanyl)ethyl]-1-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 87357861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).