cis-(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,3-trimethylcyclopentan-1-amine

C25H37NOSi — CID 175638250

IUPACcis-(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,3-trimethylcyclopentan-1-amine
SMILESC[C@@H]1CCC(N(C)C)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H37NOSi/c1-20-17-18-24(26(5)6)23(20)19-27-28(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-24H,17-19H2,1-6H3/t20-,23+,24?/m1/s1
InChIKeyZQOWEJBBPQQVMF-FQCAPJHASA-N
MW395.66 g/mol
LogP4.54
Rot. Bonds6

About cis-(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,3-trimethylcyclopentan-1-amine

cis-(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,3-trimethylcyclopentan-1-amine (PubChem CID 175638250) has the molecular formula C25H37NOSi and a molecular weight of 395.66 g/mol. Its IUPAC name is cis-(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,3-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,3-trimethylcyclopentan-1-amine
PubChem CID175638250
Molecular FormulaC25H37NOSi
Molecular Weight395.66 g/mol
Exact Mass395.26
IUPAC Namecis-(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,3-trimethylcyclopentan-1-amine
SMILESC[C@@H]1CCC(N(C)C)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H37NOSi/c1-20-17-18-24(26(5)6)23(20)19-27-28(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-24H,17-19H2,1-6H3/t20-,23+,24?/m1/s1
InChIKeyZQOWEJBBPQQVMF-FQCAPJHASA-N
XLogP4.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.66
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-yl] acetate
CID 10718012
[(1S,2S,4aS,5S,8S,8aR)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanol
CID 58193090
tert-butyl-[(2,6-dimethoxycyclohexa-2,5-dien-1-yl)methoxy]-diphenylsilane
CID 603410
[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane
CID 171429782
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
tert-butyl-[[(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentyl]methoxy]-diphenylsilane
CID 52912480
(1S,2S,3R,5S,6R)-3,6-bis[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-2-ol
CID 101191463

Frequently Asked Questions

What is the IUPAC name of cis-(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,3-trimethylcyclopentan-1-amine?
The IUPAC name of cis-(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,3-trimethylcyclopentan-1-amine (CID 175638250) is cis-(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,3-trimethylcyclopentan-1-amine.
What is the SMILES notation for cis-(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,3-trimethylcyclopentan-1-amine?
The canonical SMILES for cis-(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,3-trimethylcyclopentan-1-amine is C[C@@H]1CCC(N(C)C)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of cis-(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,3-trimethylcyclopentan-1-amine?
The InChIKey is ZQOWEJBBPQQVMF-FQCAPJHASA-N. The full InChI is InChI=1S/C25H37NOSi/c1-20-17-18-24(26(5)6)23(20)19-27-28(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-24H,17-19H2,1-6H3/t20-,23+,24?/m1/s1.
What are the key properties of cis-(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,3-trimethylcyclopentan-1-amine?
cis-(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,3-trimethylcyclopentan-1-amine has a molecular weight of 395.66 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,3-trimethylcyclopentan-1-amine is sourced from PubChem (CID 175638250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).