N-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine

C18H41N3OSi — CID 178023180

IUPACN-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCN1CCN(CCC[Si](C)(C)OC)CC1
InChIInChI=1S/C18H41N3OSi/c1-6-9-19(10-7-2)12-15-21-16-13-20(14-17-21)11-8-18-23(4,5)22-3/h6-18H2,1-5H3
InChIKeyFTLLTAZVGJDHPT-UHFFFAOYSA-N
MW343.63 g/mol
LogP2.97
Rot. Bonds12

About N-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine

N-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine (PubChem CID 178023180) has the molecular formula C18H41N3OSi and a molecular weight of 343.63 g/mol. Its IUPAC name is N-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine
PubChem CID178023180
Molecular FormulaC18H41N3OSi
Molecular Weight343.63 g/mol
Exact Mass343.30
IUPAC NameN-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCN1CCN(CCC[Si](C)(C)OC)CC1
InChIInChI=1S/C18H41N3OSi/c1-6-9-19(10-7-2)12-15-21-16-13-20(14-17-21)11-8-18-23(4,5)22-3/h6-18H2,1-5H3
InChIKeyFTLLTAZVGJDHPT-UHFFFAOYSA-N
XLogP2.97
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.63
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine (CID 178023180) is N-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine is CCCN(CCC)CCN1CCN(CCC[Si](C)(C)OC)CC1.
What is the InChIKey of N-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine?
The InChIKey is FTLLTAZVGJDHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41N3OSi/c1-6-9-19(10-7-2)12-15-21-16-13-20(14-17-21)11-8-18-23(4,5)22-3/h6-18H2,1-5H3.
What are the key properties of N-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine?
N-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine has a molecular weight of 343.63 g/mol, XLogP of 2.97, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 178023180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).