(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine

C22H32N2OSi — CID 177070919

IUPAC(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine
SMILESCC(C)(C)[Si](O[C@@H]1CC[C@H](N)[C@H](N)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H32N2OSi/c1-22(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-14-15-20(23)21(24)16-17/h4-13,17,20-21H,14-16,23-24H2,1-3H3/t17-,20+,21-/m1/s1
InChIKeyRIKAYCSKRZELKY-JRGCBEDISA-N
MW368.60 g/mol
LogP2.77
Rot. Bonds4

About (1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine

(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine (PubChem CID 177070919) has the molecular formula C22H32N2OSi and a molecular weight of 368.60 g/mol. Its IUPAC name is (1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine.

Molecular Properties

Compound Name(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine
PubChem CID177070919
Molecular FormulaC22H32N2OSi
Molecular Weight368.60 g/mol
Exact Mass368.23
IUPAC Name(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine
SMILESCC(C)(C)[Si](O[C@@H]1CC[C@H](N)[C@H](N)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H32N2OSi/c1-22(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-14-15-20(23)21(24)16-17/h4-13,17,20-21H,14-16,23-24H2,1-3H3/t17-,20+,21-/m1/s1
InChIKeyRIKAYCSKRZELKY-JRGCBEDISA-N
XLogP2.77
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.60
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol
CID 159197453
4-[tert-butyl(diphenyl)silyl]oxy-2-methylcyclopentan-1-amine
CID 142751894
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
tert-butyl-diphenyl-[(3R)-pyrrolidin-3-yl]oxysilane
CID 58393504
tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
CID 102008296
1-[3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-phenylethanol
CID 142668206
1-O-tert-butyl 2-O-methyl (1R,2S,4S)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-dicarboxylate
CID 162424135
2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde
CID 86594888
tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane
CID 58800360

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine?
The IUPAC name of (1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine (CID 177070919) is (1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine.
What is the SMILES notation for (1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine?
The canonical SMILES for (1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine is CC(C)(C)[Si](O[C@@H]1CC[C@H](N)[C@H](N)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine?
The InChIKey is RIKAYCSKRZELKY-JRGCBEDISA-N. The full InChI is InChI=1S/C22H32N2OSi/c1-22(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-14-15-20(23)21(24)16-17/h4-13,17,20-21H,14-16,23-24H2,1-3H3/t17-,20+,21-/m1/s1.
What are the key properties of (1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine?
(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine has a molecular weight of 368.60 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine is sourced from PubChem (CID 177070919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).