N,N-bis(diphenylphosphanyl)decan-1-amine

C34H41NP2 — CID 101361472

IUPACN,N-bis(diphenylphosphanyl)decan-1-amine
SMILESCCCCCCCCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H41NP2/c1-2-3-4-5-6-7-8-21-30-35(36(31-22-13-9-14-23-31)32-24-15-10-16-25-32)37(33-26-17-11-18-27-33)34-28-19-12-20-29-34/h9-20,22-29H,2-8,21,30H2,1H3
InChIKeyFYFFFXFPFXDONT-UHFFFAOYSA-N
MW525.66 g/mol
LogP8.52
Rot. Bonds15

About N,N-bis(diphenylphosphanyl)decan-1-amine

N,N-bis(diphenylphosphanyl)decan-1-amine (PubChem CID 101361472) has the molecular formula C34H41NP2 and a molecular weight of 525.66 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)decan-1-amine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)decan-1-amine
PubChem CID101361472
Molecular FormulaC34H41NP2
Molecular Weight525.66 g/mol
Exact Mass525.27
IUPAC NameN,N-bis(diphenylphosphanyl)decan-1-amine
SMILESCCCCCCCCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H41NP2/c1-2-3-4-5-6-7-8-21-30-35(36(31-22-13-9-14-23-31)32-24-15-10-16-25-32)37(33-26-17-11-18-27-33)34-28-19-12-20-29-34/h9-20,22-29H,2-8,21,30H2,1H3
InChIKeyFYFFFXFPFXDONT-UHFFFAOYSA-N
XLogP8.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 58.52
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)decan-1-amine?
The IUPAC name of N,N-bis(diphenylphosphanyl)decan-1-amine (CID 101361472) is N,N-bis(diphenylphosphanyl)decan-1-amine.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)decan-1-amine?
The canonical SMILES for N,N-bis(diphenylphosphanyl)decan-1-amine is CCCCCCCCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis(diphenylphosphanyl)decan-1-amine?
The InChIKey is FYFFFXFPFXDONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41NP2/c1-2-3-4-5-6-7-8-21-30-35(36(31-22-13-9-14-23-31)32-24-15-10-16-25-32)37(33-26-17-11-18-27-33)34-28-19-12-20-29-34/h9-20,22-29H,2-8,21,30H2,1H3.
What are the key properties of N,N-bis(diphenylphosphanyl)decan-1-amine?
N,N-bis(diphenylphosphanyl)decan-1-amine has a molecular weight of 525.66 g/mol, XLogP of 8.52, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)decan-1-amine is sourced from PubChem (CID 101361472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).