N-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-amine

C20H29NSi — CID 11723004

IUPACN-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-amine
SMILESC=C1CCCCC1N(CC#C[Si](C)(C)C)Cc1ccccc1
InChIInChI=1S/C20H29NSi/c1-18-11-8-9-14-20(18)21(15-10-16-22(2,3)4)17-19-12-6-5-7-13-19/h5-7,12-13,20H,1,8-9,11,14-15,17H2,2-4H3
InChIKeyNSYNIDMXZRJZRZ-UHFFFAOYSA-N
MW311.55 g/mol
LogP4.87
Rot. Bonds4

About N-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-amine

N-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-amine (PubChem CID 11723004) has the molecular formula C20H29NSi and a molecular weight of 311.55 g/mol. Its IUPAC name is N-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-amine
PubChem CID11723004
Molecular FormulaC20H29NSi
Molecular Weight311.55 g/mol
Exact Mass311.21
IUPAC NameN-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-amine
SMILESC=C1CCCCC1N(CC#C[Si](C)(C)C)Cc1ccccc1
InChIInChI=1S/C20H29NSi/c1-18-11-8-9-14-20(18)21(15-10-16-22(2,3)4)17-19-12-6-5-7-13-19/h5-7,12-13,20H,1,8-9,11,14-15,17H2,2-4H3
InChIKeyNSYNIDMXZRJZRZ-UHFFFAOYSA-N
XLogP4.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.55
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)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

Pargyline
CID 4688
Benzphetamine
CID 5311017
Benzfetamine
CID 2341
Benzphetamine Hydrochloride
CID 11558159
N-benzyl-N-methyl-1-phenylmethanamine
CID 21583
Lefetamine
CID 443970
Benzyltriethylammonium
CID 17208
Benzenemethanamine, N,N-diethyl-
CID 61211
Benzyl-methyl-(5-phenyl-pentyl)-amine
CID 18790196
N,N'-Ethylenebis(N-methylbenzylamine)
CID 66017
N,N-dimethyl-N',N'-dibenzylethylenediamine
CID 129279
N,N-Dimethyl-alpha-phenylbenzeneethanamine
CID 22779

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-amine?
The IUPAC name of N-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-amine (CID 11723004) is N-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-amine.
What is the SMILES notation for N-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-amine?
The canonical SMILES for N-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-amine is C=C1CCCCC1N(CC#C[Si](C)(C)C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-amine?
The InChIKey is NSYNIDMXZRJZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NSi/c1-18-11-8-9-14-20(18)21(15-10-16-22(2,3)4)17-19-12-6-5-7-13-19/h5-7,12-13,20H,1,8-9,11,14-15,17H2,2-4H3.
What are the key properties of N-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-amine?
N-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-amine has a molecular weight of 311.55 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-amine is sourced from PubChem (CID 11723004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).