N,N-bis(diphenylphosphanyl)octan-2-amine

C32H37NP2 — CID 118107980

IUPACN,N-bis(diphenylphosphanyl)octan-2-amine
SMILESCCCCCCC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H37NP2/c1-3-4-5-10-19-28(2)33(34(29-20-11-6-12-21-29)30-22-13-7-14-23-30)35(31-24-15-8-16-25-31)32-26-17-9-18-27-32/h6-9,11-18,20-28H,3-5,10,19H2,1-2H3
InChIKeyFMAIYOYSQXWKEW-UHFFFAOYSA-N
MW497.60 g/mol
LogP7.74
Rot. Bonds12

About N,N-bis(diphenylphosphanyl)octan-2-amine

N,N-bis(diphenylphosphanyl)octan-2-amine (PubChem CID 118107980) has the molecular formula C32H37NP2 and a molecular weight of 497.60 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)octan-2-amine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)octan-2-amine
PubChem CID118107980
Molecular FormulaC32H37NP2
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC NameN,N-bis(diphenylphosphanyl)octan-2-amine
SMILESCCCCCCC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H37NP2/c1-3-4-5-10-19-28(2)33(34(29-20-11-6-12-21-29)30-22-13-7-14-23-30)35(31-24-15-8-16-25-31)32-26-17-9-18-27-32/h6-9,11-18,20-28H,3-5,10,19H2,1-2H3
InChIKeyFMAIYOYSQXWKEW-UHFFFAOYSA-N
XLogP7.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 57.74
H-Bond Donors ≤ 50
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 N,N-bis(diphenylphosphanyl)octan-2-amine?
The IUPAC name of N,N-bis(diphenylphosphanyl)octan-2-amine (CID 118107980) is N,N-bis(diphenylphosphanyl)octan-2-amine.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)octan-2-amine?
The canonical SMILES for N,N-bis(diphenylphosphanyl)octan-2-amine is CCCCCCC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis(diphenylphosphanyl)octan-2-amine?
The InChIKey is FMAIYOYSQXWKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37NP2/c1-3-4-5-10-19-28(2)33(34(29-20-11-6-12-21-29)30-22-13-7-14-23-30)35(31-24-15-8-16-25-31)32-26-17-9-18-27-32/h6-9,11-18,20-28H,3-5,10,19H2,1-2H3.
What are the key properties of N,N-bis(diphenylphosphanyl)octan-2-amine?
N,N-bis(diphenylphosphanyl)octan-2-amine has a molecular weight of 497.60 g/mol, XLogP of 7.74, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)octan-2-amine is sourced from PubChem (CID 118107980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).