1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dipropylethane-1,1-diamine

C32H38N2O2P2 — CID 71130880

IUPAC1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dipropylethane-1,1-diamine
SMILESCCCN(C(C)N(CCC)P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H38N2O2P2/c1-4-26-33(37(35,29-18-10-6-11-19-29)30-20-12-7-13-21-30)28(3)34(27-5-2)38(36,31-22-14-8-15-23-31)32-24-16-9-17-25-32/h6-25,28H,4-5,26-27H2,1-3H3
InChIKeyMJZWAGDZNZXMML-UHFFFAOYSA-N
MW544.62 g/mol
LogP6.61
Rot. Bonds12

About 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dipropylethane-1,1-diamine

1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dipropylethane-1,1-diamine (PubChem CID 71130880) has the molecular formula C32H38N2O2P2 and a molecular weight of 544.62 g/mol. Its IUPAC name is 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dipropylethane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dipropylethane-1,1-diamine
PubChem CID71130880
Molecular FormulaC32H38N2O2P2
Molecular Weight544.62 g/mol
Exact Mass544.24
IUPAC Name1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dipropylethane-1,1-diamine
SMILESCCCN(C(C)N(CCC)P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H38N2O2P2/c1-4-26-33(37(35,29-18-10-6-11-19-29)30-20-12-7-13-21-30)28(3)34(27-5-2)38(36,31-22-14-8-15-23-31)32-24-16-9-17-25-32/h6-25,28H,4-5,26-27H2,1-3H3
InChIKeyMJZWAGDZNZXMML-UHFFFAOYSA-N
XLogP6.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.62
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dipropylethane-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dipropylethane-1,1-diamine (CID 71130880) is 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dipropylethane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dipropylethane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dipropylethane-1,1-diamine is CCCN(C(C)N(CCC)P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dipropylethane-1,1-diamine?
The InChIKey is MJZWAGDZNZXMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O2P2/c1-4-26-33(37(35,29-18-10-6-11-19-29)30-20-12-7-13-21-30)28(3)34(27-5-2)38(36,31-22-14-8-15-23-31)32-24-16-9-17-25-32/h6-25,28H,4-5,26-27H2,1-3H3.
What are the key properties of 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dipropylethane-1,1-diamine?
1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dipropylethane-1,1-diamine has a molecular weight of 544.62 g/mol, XLogP of 6.61, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(diphenylphosphoryl)-1-N,1-N'-dipropylethane-1,1-diamine is sourced from PubChem (CID 71130880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).