N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-triazol-4-amine

C14H28N4OSi — CID 67010143

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-triazol-4-amine
SMILESCC(C)(C)[Si](C)(C)OC1CCC(Nc2cn[nH]n2)CC1
InChIInChI=1S/C14H28N4OSi/c1-14(2,3)20(4,5)19-12-8-6-11(7-9-12)16-13-10-15-18-17-13/h10-12H,6-9H2,1-5H3,(H2,15,16,17,18)
InChIKeyROXGBUIHFSITFG-UHFFFAOYSA-N
MW296.49 g/mol
LogP3.55
Rot. Bonds4

About N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-triazol-4-amine

N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-triazol-4-amine (PubChem CID 67010143) has the molecular formula C14H28N4OSi and a molecular weight of 296.49 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-triazol-4-amine.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-triazol-4-amine
PubChem CID67010143
Molecular FormulaC14H28N4OSi
Molecular Weight296.49 g/mol
Exact Mass296.20
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-triazol-4-amine
SMILESCC(C)(C)[Si](C)(C)OC1CCC(Nc2cn[nH]n2)CC1
InChIInChI=1S/C14H28N4OSi/c1-14(2,3)20(4,5)19-12-8-6-11(7-9-12)16-13-10-15-18-17-13/h10-12H,6-9H2,1-5H3,(H2,15,16,17,18)
InChIKeyROXGBUIHFSITFG-UHFFFAOYSA-N
XLogP3.55
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-1H-pyrazol-5-amine
CID 67010200
2-N-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]pyridine-2,5-diamine
CID 59301298
2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-5-fluoroaniline
CID 170754007
N-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-methylsulfanylpyrimidin-4-amine
CID 141103714
tert-butyl-(4-tert-butylcyclohexyl)oxy-dimethylsilane
CID 11021977
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine
CID 142603727
3-[tert-butyl(dimethyl)silyl]oxy-N-methylcyclobutan-1-amine
CID 170768326
tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
CID 10638575
ethyl 3-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-1-benzothiophene-2-carboxylate
CID 90349484
tert-butyl-[[1-[2-[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydro-3H-inden-5-yl]oxy]-dimethylsilane
CID 58666151
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
CID 86587109

Frequently Asked Questions

What is the IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-triazol-4-amine?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-triazol-4-amine (CID 67010143) is N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-triazol-4-amine.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-triazol-4-amine?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-triazol-4-amine is CC(C)(C)[Si](C)(C)OC1CCC(Nc2cn[nH]n2)CC1.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-triazol-4-amine?
The InChIKey is ROXGBUIHFSITFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4OSi/c1-14(2,3)20(4,5)19-12-8-6-11(7-9-12)16-13-10-15-18-17-13/h10-12H,6-9H2,1-5H3,(H2,15,16,17,18).
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-triazol-4-amine?
N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-triazol-4-amine has a molecular weight of 296.49 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-triazol-4-amine is sourced from PubChem (CID 67010143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).