4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxymethyl]-N,N-dimethylcyclohexan-1-amine

C18H35NOSi — CID 68630861

IUPAC4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxymethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCC(COCC#C[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H35NOSi/c1-18(2,3)21(6,7)14-8-13-20-15-16-9-11-17(12-10-16)19(4)5/h16-17H,9-13,15H2,1-7H3
InChIKeyNLYJBKWDSLLQTB-UHFFFAOYSA-N
MW309.57 g/mol
LogP4.17
Rot. Bonds4

About 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxymethyl]-N,N-dimethylcyclohexan-1-amine

4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxymethyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 68630861) has the molecular formula C18H35NOSi and a molecular weight of 309.57 g/mol. Its IUPAC name is 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxymethyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxymethyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID68630861
Molecular FormulaC18H35NOSi
Molecular Weight309.57 g/mol
Exact Mass309.25
IUPAC Name4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxymethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCC(COCC#C[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H35NOSi/c1-18(2,3)21(6,7)14-8-13-20-15-16-9-11-17(12-10-16)19(4)5/h16-17H,9-13,15H2,1-7H3
InChIKeyNLYJBKWDSLLQTB-UHFFFAOYSA-N
XLogP4.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.57
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxymethyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxymethyl]-N,N-dimethylcyclohexan-1-amine (CID 68630861) is 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxymethyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxymethyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxymethyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1CCC(COCC#C[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxymethyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is NLYJBKWDSLLQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NOSi/c1-18(2,3)21(6,7)14-8-13-20-15-16-9-11-17(12-10-16)19(4)5/h16-17H,9-13,15H2,1-7H3.
What are the key properties of 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxymethyl]-N,N-dimethylcyclohexan-1-amine?
4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxymethyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 309.57 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxymethyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 68630861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).