4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(2,2-dihydroxyethoxy)cyclohexane-1-carboximidamide

C16H34N2O4Si — CID 173031086

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(2,2-dihydroxyethoxy)cyclohexane-1-carboximidamide
SMILESCC(C)(C)[Si](C)(C)OCC1CCC(C(N)=NOCC(O)O)CC1
InChIInChI=1S/C16H34N2O4Si/c1-16(2,3)23(4,5)22-10-12-6-8-13(9-7-12)15(17)18-21-11-14(19)20/h12-14,19-20H,6-11H2,1-5H3,(H2,17,18)
InChIKeyLJPMHGJMZRAHNT-UHFFFAOYSA-N
MW346.54 g/mol
LogP2.41
Rot. Bonds7

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(2,2-dihydroxyethoxy)cyclohexane-1-carboximidamide

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(2,2-dihydroxyethoxy)cyclohexane-1-carboximidamide (PubChem CID 173031086) has the molecular formula C16H34N2O4Si and a molecular weight of 346.54 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(2,2-dihydroxyethoxy)cyclohexane-1-carboximidamide.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(2,2-dihydroxyethoxy)cyclohexane-1-carboximidamide
PubChem CID173031086
Molecular FormulaC16H34N2O4Si
Molecular Weight346.54 g/mol
Exact Mass346.23
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(2,2-dihydroxyethoxy)cyclohexane-1-carboximidamide
SMILESCC(C)(C)[Si](C)(C)OCC1CCC(C(N)=NOCC(O)O)CC1
InChIInChI=1S/C16H34N2O4Si/c1-16(2,3)23(4,5)22-10-12-6-8-13(9-7-12)15(17)18-21-11-14(19)20/h12-14,19-20H,6-11H2,1-5H3,(H2,17,18)
InChIKeyLJPMHGJMZRAHNT-UHFFFAOYSA-N
XLogP2.41
TPSA97.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-amine
CID 170953372
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone
CID 131746645
2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]acetonitrile
CID 22236378
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperidine-1-carboxylate
CID 66732037
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 90457958
2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]guanidine
CID 59428058
tert-butyl-(cyclohex-3-en-1-ylmethoxy)-dimethylsilane
CID 11229886
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 59641056
tert-butyl-dimethyl-[[(3S)-piperidin-3-yl]methoxy]silane
CID 150934264
[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]-2,2-dimethylpropyl]carbamic acid
CID 87104517

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(2,2-dihydroxyethoxy)cyclohexane-1-carboximidamide?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(2,2-dihydroxyethoxy)cyclohexane-1-carboximidamide (CID 173031086) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(2,2-dihydroxyethoxy)cyclohexane-1-carboximidamide.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(2,2-dihydroxyethoxy)cyclohexane-1-carboximidamide?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(2,2-dihydroxyethoxy)cyclohexane-1-carboximidamide is CC(C)(C)[Si](C)(C)OCC1CCC(C(N)=NOCC(O)O)CC1.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(2,2-dihydroxyethoxy)cyclohexane-1-carboximidamide?
The InChIKey is LJPMHGJMZRAHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O4Si/c1-16(2,3)23(4,5)22-10-12-6-8-13(9-7-12)15(17)18-21-11-14(19)20/h12-14,19-20H,6-11H2,1-5H3,(H2,17,18).
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(2,2-dihydroxyethoxy)cyclohexane-1-carboximidamide?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(2,2-dihydroxyethoxy)cyclohexane-1-carboximidamide has a molecular weight of 346.54 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(2,2-dihydroxyethoxy)cyclohexane-1-carboximidamide is sourced from PubChem (CID 173031086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).