trans-(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine

C18H35N3OSi — CID 172829739

IUPACtrans-(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCn1nccc1CN[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35N3OSi/c1-7-21-15(12-13-20-21)14-19-16-10-8-9-11-17(16)22-23(5,6)18(2,3)4/h12-13,16-17,19H,7-11,14H2,1-6H3/t16-,17-/m0/s1
InChIKeyVIVGSHOLGGFRAL-IRXDYDNUSA-N
MW337.58 g/mol
LogP4.33
Rot. Bonds6

About trans-(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine

trans-(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 172829739) has the molecular formula C18H35N3OSi and a molecular weight of 337.58 g/mol. Its IUPAC name is trans-(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID172829739
Molecular FormulaC18H35N3OSi
Molecular Weight337.58 g/mol
Exact Mass337.25
IUPAC Nametrans-(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCn1nccc1CN[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35N3OSi/c1-7-21-15(12-13-20-21)14-19-16-10-8-9-11-17(16)22-23(5,6)18(2,3)4/h12-13,16-17,19H,7-11,14H2,1-6H3/t16-,17-/m0/s1
InChIKeyVIVGSHOLGGFRAL-IRXDYDNUSA-N
XLogP4.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.58
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine (CID 172829739) is trans-(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine is CCn1nccc1CN[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of trans-(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is VIVGSHOLGGFRAL-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H35N3OSi/c1-7-21-15(12-13-20-21)14-19-16-10-8-9-11-17(16)22-23(5,6)18(2,3)4/h12-13,16-17,19H,7-11,14H2,1-6H3/t16-,17-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine?
trans-(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 337.58 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 172829739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).