CID 178023142

C18H39N3O2Si — CID 178023142

IUPAC—
SMILESCCCN(CCC)CCN1CCN(C[Si]C(OCC)OCC)CC1
InChIInChI=1S/C18H39N3O2Si/c1-5-9-19(10-6-2)11-12-20-13-15-21(16-14-20)17-24-18(22-7-3)23-8-4/h18H,5-17H2,1-4H3
InChIKeyVUFHDNLTTNTYQG-UHFFFAOYSA-N
MW357.62 g/mol
LogP1.74
Rot. Bonds14

About CID 178023142

CID 178023142 (PubChem CID 178023142) has the molecular formula C18H39N3O2Si and a molecular weight of 357.62 g/mol.

Molecular Properties

Compound NameCID 178023142
PubChem CID178023142
Molecular FormulaC18H39N3O2Si
Molecular Weight357.62 g/mol
Exact Mass357.28
IUPAC Name—
SMILESCCCN(CCC)CCN1CCN(C[Si]C(OCC)OCC)CC1
InChIInChI=1S/C18H39N3O2Si/c1-5-9-19(10-6-2)11-12-20-13-15-21(16-14-20)17-24-18(22-7-3)23-8-4/h18H,5-17H2,1-4H3
InChIKeyVUFHDNLTTNTYQG-UHFFFAOYSA-N
XLogP1.74
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.62
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 178023178
CID 178023178
2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol
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CID 67239930
N-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine
CID 178023180
N-butyl-N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]butan-1-amine
CID 174846213
2-[2-morpholin-4-ylethyl(propyl)amino]ethanol
CID 60692272
N-[2-[4-[2-[2-(azacycloundec-1-yl)ethyl-hexylamino]ethyl]piperazin-1-yl]ethyl]-N-undecyldodecan-1-amine
CID 170754923
N'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine
CID 43137359
N-butyl-N-[2-[4-[8-[ethoxy(dimethyl)silyl]octyl]piperazin-1-yl]ethyl]butan-1-amine
CID 178023200
5-methoxy-3-methylidene-N-(2-morpholin-4-ylethyl)-N-propylpentan-1-amine
CID 143677808
N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 82892276
1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane
CID 166169560

Frequently Asked Questions

What is the IUPAC name of CID 178023142?
The IUPAC name of CID 178023142 (CID 178023142) is not available.
What is the SMILES notation for CID 178023142?
The canonical SMILES for CID 178023142 is CCCN(CCC)CCN1CCN(C[Si]C(OCC)OCC)CC1.
What is the InChIKey of CID 178023142?
The InChIKey is VUFHDNLTTNTYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3O2Si/c1-5-9-19(10-6-2)11-12-20-13-15-21(16-14-20)17-24-18(22-7-3)23-8-4/h18H,5-17H2,1-4H3.
What are the key properties of CID 178023142?
CID 178023142 has a molecular weight of 357.62 g/mol, XLogP of 1.74, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178023142 is sourced from PubChem (CID 178023142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).