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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine
CID 73211982
2-pentacen-6-ylethynyl-tri(propan-2-yl)silane
CID 141495098
[1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol
CID 15355674
2-(13-ethynylpentacen-6-yl)ethynyl-tri(propan-2-yl)silane
CID 102307090
tri(propan-2-yl)-[2-[1,2,3,4-tetrachloro-6-[2-tri(propan-2-yl)silylethynyl]benzo[b]phenazin-11-yl]ethynyl]silane
CID 46897883
tri(propan-2-yl)-[2-[(2Z,26Z)-20,33,44-tris[2-tri(propan-2-yl)silylethynyl]-9-undecacyclo[26.20.0.04,25.06,23.08,21.010,19.012,17.030,47.032,45.034,43.036,41]octatetraconta-1(48),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46-tetracosaenyl]ethynyl]silane
CID 132506304
2-[2,6-bis(5-naphthalen-2-ylthiophen-2-yl)-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane
CID 102141647
2-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]ethanamine
CID 101269623
tri(propan-2-yl)-[2-[22-[2-tri(propan-2-yl)silylethynyl]-7-octacyclo[21.7.1.18,12.02,21.04,19.06,17.027,31.016,32]dotriaconta-1(30),2,4,6,8,10,12(32),13,15,17,19,21,23,25,27(31),28-hexadecaenyl]ethynyl]silane
CID 102345338
CID 137295730
CID 137295730
trimethoxy-[2-[13-(2-trimethoxysilylethynyl)pentacen-6-yl]ethynyl]silane;tri(propan-2-yl)-[2-[13-[2-tri(propan-2-yl)silylethynyl]pentacen-6-yl]ethynyl]silane
CID 87137313
2-[13-(4-naphthalen-1-ylphenyl)pentacen-6-yl]ethynyl-tri(propan-2-yl)silane
CID 102336484

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).