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

C29H31NP2 — CID 633444

IUPACN,N-bis(diphenylphosphanyl)pentan-1-amine
SMILESCCCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31NP2/c1-2-3-16-25-30(31(26-17-8-4-9-18-26)27-19-10-5-11-20-27)32(28-21-12-6-13-22-28)29-23-14-7-15-24-29/h4-15,17-24H,2-3,16,25H2,1H3
InChIKeyQGJXJKWQXWODTL-UHFFFAOYSA-N
MW455.52 g/mol
LogP6.57
Rot. Bonds10

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

N,N-bis(diphenylphosphanyl)pentan-1-amine (PubChem CID 633444) has the molecular formula C29H31NP2 and a molecular weight of 455.52 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)pentan-1-amine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)pentan-1-amine
PubChem CID633444
Molecular FormulaC29H31NP2
Molecular Weight455.52 g/mol
Exact Mass455.19
IUPAC NameN,N-bis(diphenylphosphanyl)pentan-1-amine
SMILESCCCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31NP2/c1-2-3-16-25-30(31(26-17-8-4-9-18-26)27-19-10-5-11-20-27)32(28-21-12-6-13-22-28)29-23-14-7-15-24-29/h4-15,17-24H,2-3,16,25H2,1H3
InChIKeyQGJXJKWQXWODTL-UHFFFAOYSA-N
XLogP6.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.52
LogP ≤ 56.57
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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Related Compounds

Tetraphenylphosphonium
CID 164912
1,2-Bis(diphenylphosphino)ethane
CID 74267
1,4-Bis(diphenylphosphino)butane
CID 82124
Bis(diphenylphosphino)methane
CID 74952
Ethynylenebis(diphenylphosphine)
CID 78789
1,3-Bis(diphenylphosphino)propane
CID 81219
Tetraphenyldiphosphine
CID 70673
trans-1,2-Bis(diphenylphosphino)ethene
CID 2733288
1,5-Bis(diphenylphosphino)pentane
CID 2733414
cis-Vinylenebis(diphenylphosphine)
CID 2733415
Hydrazine, 1,1-bis(diphenylphosphino)-2,2-dimethyl-
CID 97350
Bis(diphenylphosphino)amine
CID 621811

Frequently Asked Questions

What is the IUPAC name of N,N-bis(diphenylphosphanyl)pentan-1-amine?
The IUPAC name of N,N-bis(diphenylphosphanyl)pentan-1-amine (CID 633444) is N,N-bis(diphenylphosphanyl)pentan-1-amine.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)pentan-1-amine?
The canonical SMILES for N,N-bis(diphenylphosphanyl)pentan-1-amine is CCCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis(diphenylphosphanyl)pentan-1-amine?
The InChIKey is QGJXJKWQXWODTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NP2/c1-2-3-16-25-30(31(26-17-8-4-9-18-26)27-19-10-5-11-20-27)32(28-21-12-6-13-22-28)29-23-14-7-15-24-29/h4-15,17-24H,2-3,16,25H2,1H3.
What are the key properties of N,N-bis(diphenylphosphanyl)pentan-1-amine?
N,N-bis(diphenylphosphanyl)pentan-1-amine has a molecular weight of 455.52 g/mol, XLogP of 6.57, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)pentan-1-amine is sourced from PubChem (CID 633444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).