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

C28H29NP2 — CID 621499

IUPACN,N-bis(diphenylphosphanyl)butan-1-amine
SMILESCCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29NP2/c1-2-3-24-29(30(25-16-8-4-9-17-25)26-18-10-5-11-19-26)31(27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-23H,2-3,24H2,1H3
InChIKeyRLXAOAJYBWBXFS-UHFFFAOYSA-N
MW441.50 g/mol
LogP6.18
Rot. Bonds9

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

N,N-bis(diphenylphosphanyl)butan-1-amine (PubChem CID 621499) has the molecular formula C28H29NP2 and a molecular weight of 441.50 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)butan-1-amine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)butan-1-amine
PubChem CID621499
Molecular FormulaC28H29NP2
Molecular Weight441.50 g/mol
Exact Mass441.18
IUPAC NameN,N-bis(diphenylphosphanyl)butan-1-amine
SMILESCCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29NP2/c1-2-3-24-29(30(25-16-8-4-9-17-25)26-18-10-5-11-19-26)31(27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-23H,2-3,24H2,1H3
InChIKeyRLXAOAJYBWBXFS-UHFFFAOYSA-N
XLogP6.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.50
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(diphenylphosphanyl)butan-1-amine?
The IUPAC name of N,N-bis(diphenylphosphanyl)butan-1-amine (CID 621499) is N,N-bis(diphenylphosphanyl)butan-1-amine.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)butan-1-amine?
The canonical SMILES for N,N-bis(diphenylphosphanyl)butan-1-amine is CCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis(diphenylphosphanyl)butan-1-amine?
The InChIKey is RLXAOAJYBWBXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NP2/c1-2-3-24-29(30(25-16-8-4-9-17-25)26-18-10-5-11-19-26)31(27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-23H,2-3,24H2,1H3.
What are the key properties of N,N-bis(diphenylphosphanyl)butan-1-amine?
N,N-bis(diphenylphosphanyl)butan-1-amine has a molecular weight of 441.50 g/mol, XLogP of 6.18, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)butan-1-amine is sourced from PubChem (CID 621499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).