1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine

C64H73N3P4 — CID 129083275

IUPAC1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine
SMILESCCN(CCCC(C)CCC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)CCCC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C64H73N3P4/c1-5-65(53-31-33-55(3)66(68(57-34-14-6-15-35-57)58-36-16-7-17-37-58)69(59-38-18-8-19-39-59)60-40-20-9-21-41-60)52-30-32-54(2)50-51-56(4)67(70(61-42-22-10-23-43-61)62-44-24-11-25-45-62)71(63-46-26-12-27-47-63)64-48-28-13-29-49-64/h6-29,34-49,54-56H,5,30-33,50-53H2,1-4H3
InChIKeyXXLUKXCMROLZII-UHFFFAOYSA-N
MW1008.21 g/mol
LogP13.86
Rot. Bonds26

About 1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine

1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine (PubChem CID 129083275) has the molecular formula C64H73N3P4 and a molecular weight of 1008.21 g/mol. Its IUPAC name is 1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine.

Molecular Properties

Compound Name1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine
PubChem CID129083275
Molecular FormulaC64H73N3P4
Molecular Weight1008.21 g/mol
Exact Mass1007.48
IUPAC Name1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine
SMILESCCN(CCCC(C)CCC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)CCCC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C64H73N3P4/c1-5-65(53-31-33-55(3)66(68(57-34-14-6-15-35-57)58-36-16-7-17-37-58)69(59-38-18-8-19-39-59)60-40-20-9-21-41-60)52-30-32-54(2)50-51-56(4)67(70(61-42-22-10-23-43-61)62-44-24-11-25-45-62)71(63-46-26-12-27-47-63)64-48-28-13-29-49-64/h6-29,34-49,54-56H,5,30-33,50-53H2,1-4H3
InChIKeyXXLUKXCMROLZII-UHFFFAOYSA-N
XLogP13.86
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001008.21
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine with MolForge

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Related Compounds

(1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine
CID 11225572
(1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine
CID 22215677
(4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine
CID 155935553
N'-ethyl-N'-heptyl-1-phenylbutane-1,4-diamine
CID 174264549
7-(diethylamino)-4-methyl-1-phenylsulfanylheptan-2-one
CID 58107837
N-diphenylphosphanyl-N-[[ethyl(methyl)amino]-phenylphosphanyl]propan-2-amine
CID 121401614
N'-ethyl-N,N-dimethyl-N'-[(3S)-3-phenylbutyl]ethane-1,2-diamine
CID 2059338
N,N-dibutyl-4,4-diphenylbutan-1-amine
CID 3026479
N-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline
CID 59671995
1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine
CID 171935004
N-ethyl-4-methyl-N-propylhexan-1-amine
CID 142891130
(7-chloro-4-methyl-1-phenylheptyl)benzene
CID 174655808

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine?
The IUPAC name of 1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine (CID 129083275) is 1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine.
What is the SMILES notation for 1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine?
The canonical SMILES for 1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine is CCN(CCCC(C)CCC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)CCCC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine?
The InChIKey is XXLUKXCMROLZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H73N3P4/c1-5-65(53-31-33-55(3)66(68(57-34-14-6-15-35-57)58-36-16-7-17-37-58)69(59-38-18-8-19-39-59)60-40-20-9-21-41-60)52-30-32-54(2)50-51-56(4)67(70(61-42-22-10-23-43-61)62-44-24-11-25-45-62)71(63-46-26-12-27-47-63)64-48-28-13-29-49-64/h6-29,34-49,54-56H,5,30-33,50-53H2,1-4H3.
What are the key properties of 1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine?
1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine has a molecular weight of 1008.21 g/mol, XLogP of 13.86, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine is sourced from PubChem (CID 129083275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).