N,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine

C12H33N3P6Si2 — CID 162260133

IUPACN,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine
SMILESPP(P)[SiH2]CCCN(CCC[SiH2]P(P)P)CCCn1ccnc1
InChIInChI=1S/C12H33N3P6Si2/c16-20(17)22-10-2-7-14(8-3-11-23-21(18)19)5-1-6-15-9-4-13-12-15/h4,9,12H,1-3,5-8,10-11,16-19,22-23H2
InChIKeyWJRUOKBEUBVBGC-UHFFFAOYSA-N
MW461.43 g/mol
LogP3.48
Rot. Bonds14

About N,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine

N,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 162260133) has the molecular formula C12H33N3P6Si2 and a molecular weight of 461.43 g/mol. Its IUPAC name is N,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID162260133
Molecular FormulaC12H33N3P6Si2
Molecular Weight461.43 g/mol
Exact Mass461.06
IUPAC NameN,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine
SMILESPP(P)[SiH2]CCCN(CCC[SiH2]P(P)P)CCCn1ccnc1
InChIInChI=1S/C12H33N3P6Si2/c16-20(17)22-10-2-7-14(8-3-11-23-21(18)19)5-1-6-15-9-4-13-12-15/h4,9,12H,1-3,5-8,10-11,16-19,22-23H2
InChIKeyWJRUOKBEUBVBGC-UHFFFAOYSA-N
XLogP3.48
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-imidazol-1-ylpropyl(propyl)amino]propanal
CID 166864860
3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol
CID 71321684
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
N,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine
CID 157021381
3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid
CID 82328294
N-(8-heptadecan-9-yloxyoctyl)-N-(3-imidazol-1-ylpropyl)nonan-1-amine
CID 146179962
N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine
CID 80679358
N-(3-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine
CID 118603482
N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide
CID 168943789
methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate
CID 113330780
N-ethenyl-3-imidazol-1-ylpropan-1-amine
CID 143541256
2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid
CID 63065726

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine (CID 162260133) is N,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine is PP(P)[SiH2]CCCN(CCC[SiH2]P(P)P)CCCn1ccnc1.
What is the InChIKey of N,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is WJRUOKBEUBVBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H33N3P6Si2/c16-20(17)22-10-2-7-14(8-3-11-23-21(18)19)5-1-6-15-9-4-13-12-15/h4,9,12H,1-3,5-8,10-11,16-19,22-23H2.
What are the key properties of N,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine?
N,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 461.43 g/mol, XLogP of 3.48, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 162260133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).