(1S,2S,4S,6R)-4-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethylcyclohexan-1-ol

C19H34N2O2Si — CID 70656065

IUPAC(1S,2S,4S,6R)-4-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethylcyclohexan-1-ol
SMILESC[C@@H]1C[C@H](c2ccncc2N)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)O
InChIInChI=1S/C19H34N2O2Si/c1-13-10-14(15-8-9-21-12-16(15)20)11-17(19(13,5)22)23-24(6,7)18(2,3)4/h8-9,12-14,17,22H,10-11,20H2,1-7H3/t13-,14+,17+,19+/m1/s1
InChIKeyACUWYNITPBXWJY-BDFQZXNOSA-N
MW350.58 g/mol
LogP4.32
Rot. Bonds3

About (1S,2S,4S,6R)-4-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethylcyclohexan-1-ol

(1S,2S,4S,6R)-4-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethylcyclohexan-1-ol (PubChem CID 70656065) has the molecular formula C19H34N2O2Si and a molecular weight of 350.58 g/mol. Its IUPAC name is (1S,2S,4S,6R)-4-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4S,6R)-4-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethylcyclohexan-1-ol
PubChem CID70656065
Molecular FormulaC19H34N2O2Si
Molecular Weight350.58 g/mol
Exact Mass350.24
IUPAC Name(1S,2S,4S,6R)-4-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethylcyclohexan-1-ol
SMILESC[C@@H]1C[C@H](c2ccncc2N)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)O
InChIInChI=1S/C19H34N2O2Si/c1-13-10-14(15-8-9-21-12-16(15)20)11-17(19(13,5)22)23-24(6,7)18(2,3)4/h8-9,12-14,17,22H,10-11,20H2,1-7H3/t13-,14+,17+,19+/m1/s1
InChIKeyACUWYNITPBXWJY-BDFQZXNOSA-N
XLogP4.32
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 54.32
H-Bond Donors ≤ 52
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 (1S,2S,4S,6R)-4-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethylcyclohexan-1-ol?
The IUPAC name of (1S,2S,4S,6R)-4-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethylcyclohexan-1-ol (CID 70656065) is (1S,2S,4S,6R)-4-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4S,6R)-4-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,4S,6R)-4-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethylcyclohexan-1-ol is C[C@@H]1C[C@H](c2ccncc2N)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)O.
What is the InChIKey of (1S,2S,4S,6R)-4-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethylcyclohexan-1-ol?
The InChIKey is ACUWYNITPBXWJY-BDFQZXNOSA-N. The full InChI is InChI=1S/C19H34N2O2Si/c1-13-10-14(15-8-9-21-12-16(15)20)11-17(19(13,5)22)23-24(6,7)18(2,3)4/h8-9,12-14,17,22H,10-11,20H2,1-7H3/t13-,14+,17+,19+/m1/s1.
What are the key properties of (1S,2S,4S,6R)-4-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethylcyclohexan-1-ol?
(1S,2S,4S,6R)-4-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethylcyclohexan-1-ol has a molecular weight of 350.58 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S,6R)-4-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 70656065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).