N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine

C18H27NSi — CID 11243123

IUPACN-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine
SMILESC[Si](C)(C)C#CC1(NCc2ccccc2)CCCCC1
InChIInChI=1S/C18H27NSi/c1-20(2,3)15-14-18(12-8-5-9-13-18)19-16-17-10-6-4-7-11-17/h4,6-7,10-11,19H,5,8-9,12-13,16H2,1-3H3
InChIKeyQQTZOMALFXTTNS-UHFFFAOYSA-N
MW285.51 g/mol
LogP4.36
Rot. Bonds3

About N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine

N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine (PubChem CID 11243123) has the molecular formula C18H27NSi and a molecular weight of 285.51 g/mol. Its IUPAC name is N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine
PubChem CID11243123
Molecular FormulaC18H27NSi
Molecular Weight285.51 g/mol
Exact Mass285.19
IUPAC NameN-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine
SMILESC[Si](C)(C)C#CC1(NCc2ccccc2)CCCCC1
InChIInChI=1S/C18H27NSi/c1-20(2,3)15-14-18(12-8-5-9-13-18)19-16-17-10-6-4-7-11-17/h4,6-7,10-11,19H,5,8-9,12-13,16H2,1-3H3
InChIKeyQQTZOMALFXTTNS-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.51
LogP ≤ 54.36
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 N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine 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

N-[(4-methoxyphenyl)methyl]-1-(2-phenylethynyl)cycloheptan-1-amine
CID 134835752
N-[(4-methoxyphenyl)methyl]-1-(2-phenylethynyl)cyclopentan-1-amine
CID 134835753
N-benzyl-1-methylcyclopentan-1-amine;hydrochloride
CID 171397400
1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile
CID 65087940
N-benzyl-1-phenylcyclohexan-1-amine
CID 76851721
1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile
CID 28702750
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
N-benzyl-1-ethylcyclopropan-1-amine
CID 130847049
[1-(benzylamino)-2,2-dimethylcyclohexyl]methanol
CID 79852336
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
2-(N-aminoanilino)-2-N-benzyl-1-N,1-N',1-N'-trimethylcyclohexane-1,1,2-triamine
CID 151270644
N-benzyl-1-diphenylphosphorylcyclohexan-1-amine
CID 134849791

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine?
The IUPAC name of N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine (CID 11243123) is N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine.
What is the SMILES notation for N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine?
The canonical SMILES for N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine is C[Si](C)(C)C#CC1(NCc2ccccc2)CCCCC1.
What is the InChIKey of N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine?
The InChIKey is QQTZOMALFXTTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NSi/c1-20(2,3)15-14-18(12-8-5-9-13-18)19-16-17-10-6-4-7-11-17/h4,6-7,10-11,19H,5,8-9,12-13,16H2,1-3H3.
What are the key properties of N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine?
N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine has a molecular weight of 285.51 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine is sourced from PubChem (CID 11243123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).