3-aminopropyl-methyl-[4-[4-[methyl(diphenyl)phosphaniumyl]butyl-phenylphosphanyl]butyl]-propylazanium

C34H52N2P2+2 — CID 145308814

IUPAC3-aminopropyl-methyl-[4-[4-[methyl(diphenyl)phosphaniumyl]butyl-phenylphosphanyl]butyl]-propylazanium
SMILESCCC[N+](C)(CCCN)CCCCP(CCCC[P+](C)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H52N2P2/c1-4-26-36(2,28-18-25-35)27-14-15-29-37(32-19-8-5-9-20-32)30-16-17-31-38(3,33-21-10-6-11-22-33)34-23-12-7-13-24-34/h5-13,19-24H,4,14-18,25-31,35H2,1-3H3/q+2
InChIKeyAHMPKLCCRPRYKU-UHFFFAOYSA-N
MW550.75 g/mol
LogP6.86
Rot. Bonds18

About 3-aminopropyl-methyl-[4-[4-[methyl(diphenyl)phosphaniumyl]butyl-phenylphosphanyl]butyl]-propylazanium

3-aminopropyl-methyl-[4-[4-[methyl(diphenyl)phosphaniumyl]butyl-phenylphosphanyl]butyl]-propylazanium (PubChem CID 145308814) has the molecular formula C34H52N2P2+2 and a molecular weight of 550.75 g/mol. Its IUPAC name is 3-aminopropyl-methyl-[4-[4-[methyl(diphenyl)phosphaniumyl]butyl-phenylphosphanyl]butyl]-propylazanium.

Molecular Properties

Compound Name3-aminopropyl-methyl-[4-[4-[methyl(diphenyl)phosphaniumyl]butyl-phenylphosphanyl]butyl]-propylazanium
PubChem CID145308814
Molecular FormulaC34H52N2P2+2
Molecular Weight550.75 g/mol
Exact Mass550.36
IUPAC Name3-aminopropyl-methyl-[4-[4-[methyl(diphenyl)phosphaniumyl]butyl-phenylphosphanyl]butyl]-propylazanium
SMILESCCC[N+](C)(CCCN)CCCCP(CCCC[P+](C)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H52N2P2/c1-4-26-36(2,28-18-25-35)27-14-15-29-37(32-19-8-5-9-20-32)30-16-17-31-38(3,33-21-10-6-11-22-33)34-23-12-7-13-24-34/h5-13,19-24H,4,14-18,25-31,35H2,1-3H3/q+2
InChIKeyAHMPKLCCRPRYKU-UHFFFAOYSA-N
XLogP6.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.75
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dipentyl(phenyl)phosphane
CID 3085487
3-aminopropyl-benzyl-methyl-nonadecylazanium
CID 174609407
4-diphenylphosphanylbutyl-methyl-diphenylphosphanium;methanesulfonate
CID 88698780
bis(3-aminopropyl)-[4-[bis(3-aminopropyl)-methylazaniumyl]butyl]-methylazanium
CID 140942989
bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane
CID 102211792
N'-pentan-2-yl-N'-phenylpropane-1,3-diamine
CID 107895596
benzyl-methyl-octadecyl-propylazanium
CID 158066807
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578
methyl-phenyl-dipropylphosphanium
CID 70584071
bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane
CID 58654516
ethyl-[2-[ethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
CID 22760091
ethyl-methyl-phenyl-propylphosphanium
CID 2785204

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl-methyl-[4-[4-[methyl(diphenyl)phosphaniumyl]butyl-phenylphosphanyl]butyl]-propylazanium?
The IUPAC name of 3-aminopropyl-methyl-[4-[4-[methyl(diphenyl)phosphaniumyl]butyl-phenylphosphanyl]butyl]-propylazanium (CID 145308814) is 3-aminopropyl-methyl-[4-[4-[methyl(diphenyl)phosphaniumyl]butyl-phenylphosphanyl]butyl]-propylazanium.
What is the SMILES notation for 3-aminopropyl-methyl-[4-[4-[methyl(diphenyl)phosphaniumyl]butyl-phenylphosphanyl]butyl]-propylazanium?
The canonical SMILES for 3-aminopropyl-methyl-[4-[4-[methyl(diphenyl)phosphaniumyl]butyl-phenylphosphanyl]butyl]-propylazanium is CCC[N+](C)(CCCN)CCCCP(CCCC[P+](C)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-aminopropyl-methyl-[4-[4-[methyl(diphenyl)phosphaniumyl]butyl-phenylphosphanyl]butyl]-propylazanium?
The InChIKey is AHMPKLCCRPRYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52N2P2/c1-4-26-36(2,28-18-25-35)27-14-15-29-37(32-19-8-5-9-20-32)30-16-17-31-38(3,33-21-10-6-11-22-33)34-23-12-7-13-24-34/h5-13,19-24H,4,14-18,25-31,35H2,1-3H3/q+2.
What are the key properties of 3-aminopropyl-methyl-[4-[4-[methyl(diphenyl)phosphaniumyl]butyl-phenylphosphanyl]butyl]-propylazanium?
3-aminopropyl-methyl-[4-[4-[methyl(diphenyl)phosphaniumyl]butyl-phenylphosphanyl]butyl]-propylazanium has a molecular weight of 550.75 g/mol, XLogP of 6.86, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl-methyl-[4-[4-[methyl(diphenyl)phosphaniumyl]butyl-phenylphosphanyl]butyl]-propylazanium is sourced from PubChem (CID 145308814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).