2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine

C20H45NP2 — CID 51346231

IUPAC2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine
SMILESCC(C)(C)P(CCNCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H45NP2/c1-17(2,3)22(18(4,5)6)15-13-21-14-16-23(19(7,8)9)20(10,11)12/h21H,13-16H2,1-12H3
InChIKeyMJYKYLNPIGDVEF-UHFFFAOYSA-N
MW361.54 g/mol
LogP6.73
Rot. Bonds6

About 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine

2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine (PubChem CID 51346231) has the molecular formula C20H45NP2 and a molecular weight of 361.54 g/mol. Its IUPAC name is 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine.

Molecular Properties

Compound Name2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine
PubChem CID51346231
Molecular FormulaC20H45NP2
Molecular Weight361.54 g/mol
Exact Mass361.30
IUPAC Name2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine
SMILESCC(C)(C)P(CCNCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H45NP2/c1-17(2,3)22(18(4,5)6)15-13-21-14-16-23(19(7,8)9)20(10,11)12/h21H,13-16H2,1-12H3
InChIKeyMJYKYLNPIGDVEF-UHFFFAOYSA-N
XLogP6.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.54
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine?
The IUPAC name of 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine (CID 51346231) is 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine.
What is the SMILES notation for 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine?
The canonical SMILES for 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine is CC(C)(C)P(CCNCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine?
The InChIKey is MJYKYLNPIGDVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45NP2/c1-17(2,3)22(18(4,5)6)15-13-21-14-16-23(19(7,8)9)20(10,11)12/h21H,13-16H2,1-12H3.
What are the key properties of 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine?
2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine has a molecular weight of 361.54 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine is sourced from PubChem (CID 51346231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).