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

C30H33NP2 — CID 88592099

IUPACN,N-bis(diphenylphosphanyl)hexan-1-amine
SMILESCCCCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33NP2/c1-2-3-4-17-26-31(32(27-18-9-5-10-19-27)28-20-11-6-12-21-28)33(29-22-13-7-14-23-29)30-24-15-8-16-25-30/h5-16,18-25H,2-4,17,26H2,1H3
InChIKeyHWXKJZHYBAWKKN-UHFFFAOYSA-N
MW469.55 g/mol
LogP6.96
Rot. Bonds11

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

N,N-bis(diphenylphosphanyl)hexan-1-amine (PubChem CID 88592099) has the molecular formula C30H33NP2 and a molecular weight of 469.55 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)hexan-1-amine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)hexan-1-amine
PubChem CID88592099
Molecular FormulaC30H33NP2
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC NameN,N-bis(diphenylphosphanyl)hexan-1-amine
SMILESCCCCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33NP2/c1-2-3-4-17-26-31(32(27-18-9-5-10-19-27)28-20-11-6-12-21-28)33(29-22-13-7-14-23-29)30-24-15-8-16-25-30/h5-16,18-25H,2-4,17,26H2,1H3
InChIKeyHWXKJZHYBAWKKN-UHFFFAOYSA-N
XLogP6.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 56.96
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

N,N-bis(diphenylphosphanyl)-2-hexylsulfanylethanamine
CID 102588137
11-[bis(diphenylphosphanyl)amino]undecane-1-thiol
CID 101469609
N-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine
CID 118967803
N-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine
CID 118968554
N-heptyl-N-pentylaniline
CID 154378615
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-methylaniline
CID 54015540
butane;N-octyl-N-phenylaniline
CID 175431375
CID 10800637
CID 10800637
dipentyl(phenyl)phosphane
CID 3085487
N,N-dibenzyldodecan-1-amine
CID 11508874
N-dodecyl-N-phenylhydroxylamine
CID 159931126

Frequently Asked Questions

What is the IUPAC name of N,N-bis(diphenylphosphanyl)hexan-1-amine?
The IUPAC name of N,N-bis(diphenylphosphanyl)hexan-1-amine (CID 88592099) is N,N-bis(diphenylphosphanyl)hexan-1-amine.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)hexan-1-amine?
The canonical SMILES for N,N-bis(diphenylphosphanyl)hexan-1-amine is CCCCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis(diphenylphosphanyl)hexan-1-amine?
The InChIKey is HWXKJZHYBAWKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NP2/c1-2-3-4-17-26-31(32(27-18-9-5-10-19-27)28-20-11-6-12-21-28)33(29-22-13-7-14-23-29)30-24-15-8-16-25-30/h5-16,18-25H,2-4,17,26H2,1H3.
What are the key properties of N,N-bis(diphenylphosphanyl)hexan-1-amine?
N,N-bis(diphenylphosphanyl)hexan-1-amine has a molecular weight of 469.55 g/mol, XLogP of 6.96, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)hexan-1-amine is sourced from PubChem (CID 88592099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).