N,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine

C24H51N3O4Si2 — CID 157021381

IUPACN,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine
SMILESCCO[Si](CC)(CCCN(CCCn1ccnc1)CCC[Si](CC)(OCC)OCC)OCC
InChIInChI=1S/C24H51N3O4Si2/c1-7-28-32(11-5,29-8-2)22-14-19-26(17-13-18-27-21-16-25-24-27)20-15-23-33(12-6,30-9-3)31-10-4/h16,21,24H,7-15,17-20,22-23H2,1-6H3
InChIKeyWBGVLVHFZKEKFS-UHFFFAOYSA-N
MW501.86 g/mol
LogP5.43
Rot. Bonds22

About N,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine

N,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 157021381) has the molecular formula C24H51N3O4Si2 and a molecular weight of 501.86 g/mol. Its IUPAC name is N,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID157021381
Molecular FormulaC24H51N3O4Si2
Molecular Weight501.86 g/mol
Exact Mass501.34
IUPAC NameN,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine
SMILESCCO[Si](CC)(CCCN(CCCn1ccnc1)CCC[Si](CC)(OCC)OCC)OCC
InChIInChI=1S/C24H51N3O4Si2/c1-7-28-32(11-5,29-8-2)22-14-19-26(17-13-18-27-21-16-25-24-27)20-15-23-33(12-6,30-9-3)31-10-4/h16,21,24H,7-15,17-20,22-23H2,1-6H3
InChIKeyWBGVLVHFZKEKFS-UHFFFAOYSA-N
XLogP5.43
TPSA57.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.86
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

triethoxy(3-imidazol-1-ylpropyl)silane
CID 3017411
3-[3-imidazol-1-ylpropyl(propyl)amino]propanal
CID 166864860
N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide
CID 168943789
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-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine
CID 118603482
N,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine
CID 162260133
methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate
CID 113330780
1-(13-ethoxytridecyl)imidazole
CID 145255635
N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine
CID 107207249
sodium;1-butylimidazole;bromide
CID 175480877
N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine
CID 80679358

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine (CID 157021381) is N,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine is CCO[Si](CC)(CCCN(CCCn1ccnc1)CCC[Si](CC)(OCC)OCC)OCC.
What is the InChIKey of N,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is WBGVLVHFZKEKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N3O4Si2/c1-7-28-32(11-5,29-8-2)22-14-19-26(17-13-18-27-21-16-25-24-27)20-15-23-33(12-6,30-9-3)31-10-4/h16,21,24H,7-15,17-20,22-23H2,1-6H3.
What are the key properties of N,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine?
N,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 501.86 g/mol, XLogP of 5.43, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 157021381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).