2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride

C23H34ClNSi — CID 142472984

IUPAC2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride
SMILESCC(C)[Si](C#Cc1c(CCN)ccc2ccccc12)(C(C)C)C(C)C.Cl
InChIInChI=1S/C23H33NSi.ClH/c1-17(2)25(18(3)4,19(5)6)16-14-23-21(13-15-24)12-11-20-9-7-8-10-22(20)23;/h7-12,17-19H,13,15,24H2,1-6H3;1H
InChIKeyCCLGDRRHGPUORY-UHFFFAOYSA-N
MW388.07 g/mol
LogP6.33
Rot. Bonds5

About 2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride

2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride (PubChem CID 142472984) has the molecular formula C23H34ClNSi and a molecular weight of 388.07 g/mol. Its IUPAC name is 2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride
PubChem CID142472984
Molecular FormulaC23H34ClNSi
Molecular Weight388.07 g/mol
Exact Mass387.21
IUPAC Name2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride
SMILESCC(C)[Si](C#Cc1c(CCN)ccc2ccccc12)(C(C)C)C(C)C.Cl
InChIInChI=1S/C23H33NSi.ClH/c1-17(2)25(18(3)4,19(5)6)16-14-23-21(13-15-24)12-11-20-9-7-8-10-22(20)23;/h7-12,17-19H,13,15,24H2,1-6H3;1H
InChIKeyCCLGDRRHGPUORY-UHFFFAOYSA-N
XLogP6.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.07
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride (CID 142472984) is 2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride is CC(C)[Si](C#Cc1c(CCN)ccc2ccccc12)(C(C)C)C(C)C.Cl.
What is the InChIKey of 2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride?
The InChIKey is CCLGDRRHGPUORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NSi.ClH/c1-17(2)25(18(3)4,19(5)6)16-14-23-21(13-15-24)12-11-20-9-7-8-10-22(20)23;/h7-12,17-19H,13,15,24H2,1-6H3;1H.
What are the key properties of 2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride?
2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride has a molecular weight of 388.07 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 142472984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).