1-cyclohexyl-N-methyl-N-(3-trimethylsilylprop-2-ynyl)but-3-en-1-amine

C17H31NSi — CID 11065752

IUPAC1-cyclohexyl-N-methyl-N-(3-trimethylsilylprop-2-ynyl)but-3-en-1-amine
SMILESC=CCC(C1CCCCC1)N(C)CC#C[Si](C)(C)C
InChIInChI=1S/C17H31NSi/c1-6-11-17(16-12-8-7-9-13-16)18(2)14-10-15-19(3,4)5/h6,16-17H,1,7-9,11-14H2,2-5H3
InChIKeyIVRBQHLTIOUEOE-UHFFFAOYSA-N
MW277.53 g/mol
LogP4.32
Rot. Bonds5

About 1-cyclohexyl-N-methyl-N-(3-trimethylsilylprop-2-ynyl)but-3-en-1-amine

1-cyclohexyl-N-methyl-N-(3-trimethylsilylprop-2-ynyl)but-3-en-1-amine (PubChem CID 11065752) has the molecular formula C17H31NSi and a molecular weight of 277.53 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-N-(3-trimethylsilylprop-2-ynyl)but-3-en-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-N-(3-trimethylsilylprop-2-ynyl)but-3-en-1-amine
PubChem CID11065752
Molecular FormulaC17H31NSi
Molecular Weight277.53 g/mol
Exact Mass277.22
IUPAC Name1-cyclohexyl-N-methyl-N-(3-trimethylsilylprop-2-ynyl)but-3-en-1-amine
SMILESC=CCC(C1CCCCC1)N(C)CC#C[Si](C)(C)C
InChIInChI=1S/C17H31NSi/c1-6-11-17(16-12-8-7-9-13-16)18(2)14-10-15-19(3,4)5/h6,16-17H,1,7-9,11-14H2,2-5H3
InChIKeyIVRBQHLTIOUEOE-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.53
LogP ≤ 54.32
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-N-(3-trimethylsilylprop-2-ynyl)but-3-en-1-amine?
The IUPAC name of 1-cyclohexyl-N-methyl-N-(3-trimethylsilylprop-2-ynyl)but-3-en-1-amine (CID 11065752) is 1-cyclohexyl-N-methyl-N-(3-trimethylsilylprop-2-ynyl)but-3-en-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-N-(3-trimethylsilylprop-2-ynyl)but-3-en-1-amine?
The canonical SMILES for 1-cyclohexyl-N-methyl-N-(3-trimethylsilylprop-2-ynyl)but-3-en-1-amine is C=CCC(C1CCCCC1)N(C)CC#C[Si](C)(C)C.
What is the InChIKey of 1-cyclohexyl-N-methyl-N-(3-trimethylsilylprop-2-ynyl)but-3-en-1-amine?
The InChIKey is IVRBQHLTIOUEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NSi/c1-6-11-17(16-12-8-7-9-13-16)18(2)14-10-15-19(3,4)5/h6,16-17H,1,7-9,11-14H2,2-5H3.
What are the key properties of 1-cyclohexyl-N-methyl-N-(3-trimethylsilylprop-2-ynyl)but-3-en-1-amine?
1-cyclohexyl-N-methyl-N-(3-trimethylsilylprop-2-ynyl)but-3-en-1-amine has a molecular weight of 277.53 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-N-(3-trimethylsilylprop-2-ynyl)but-3-en-1-amine is sourced from PubChem (CID 11065752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).