N-tert-butyl-1-[(2S,5S)-5-methyl-2-trimethylsilylpiperidin-1-yl]methanimine

C14H30N2Si — CID 10634734

IUPACN-tert-butyl-1-[(2S,5S)-5-methyl-2-trimethylsilylpiperidin-1-yl]methanimine
SMILESC[C@H]1CC[C@H]([Si](C)(C)C)N(/C=N/C(C)(C)C)C1
InChIInChI=1S/C14H30N2Si/c1-12-8-9-13(17(5,6)7)16(10-12)11-15-14(2,3)4/h11-13H,8-10H2,1-7H3/b15-11+/t12-,13-/m0/s1
InChIKeyVJGRDNWJRSIXQY-RFLGGOROSA-N
MW254.49 g/mol
LogP3.79
Rot. Bonds2

About N-tert-butyl-1-[(2S,5S)-5-methyl-2-trimethylsilylpiperidin-1-yl]methanimine

N-tert-butyl-1-[(2S,5S)-5-methyl-2-trimethylsilylpiperidin-1-yl]methanimine (PubChem CID 10634734) has the molecular formula C14H30N2Si and a molecular weight of 254.49 g/mol. Its IUPAC name is N-tert-butyl-1-[(2S,5S)-5-methyl-2-trimethylsilylpiperidin-1-yl]methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[(2S,5S)-5-methyl-2-trimethylsilylpiperidin-1-yl]methanimine
PubChem CID10634734
Molecular FormulaC14H30N2Si
Molecular Weight254.49 g/mol
Exact Mass254.22
IUPAC NameN-tert-butyl-1-[(2S,5S)-5-methyl-2-trimethylsilylpiperidin-1-yl]methanimine
SMILESC[C@H]1CC[C@H]([Si](C)(C)C)N(/C=N/C(C)(C)C)C1
InChIInChI=1S/C14H30N2Si/c1-12-8-9-13(17(5,6)7)16(10-12)11-15-14(2,3)4/h11-13H,8-10H2,1-7H3/b15-11+/t12-,13-/m0/s1
InChIKeyVJGRDNWJRSIXQY-RFLGGOROSA-N
XLogP3.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine
CID 100938866
N-tert-butyl-1-pyrrolidin-1-ylmethanimine
CID 551065
2,2-dimethylpropane;methane;methylcyclopropane
CID 161488522
2,5-dimethyl-1-oxidopiperidine
CID 163437717
N-tert-butyl-1-cyclobutylmethanimine
CID 14932688
ethane;methylcyclopropane
CID 158329065
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
1-methyl-3-[2-(3-methylcyclopentyl)propan-2-yl]cyclopentane
CID 58630980
3-methyl-1-azabicyclo[4.1.0]heptane
CID 154552720
2-(1-chloro-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanol
CID 117248205
2-(4-tert-butylcyclohexyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine
CID 104575450
2,2-dimethyl-1-(2-trimethylsilylazetidin-1-yl)propane-1-thione
CID 46217570

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(2S,5S)-5-methyl-2-trimethylsilylpiperidin-1-yl]methanimine?
The IUPAC name of N-tert-butyl-1-[(2S,5S)-5-methyl-2-trimethylsilylpiperidin-1-yl]methanimine (CID 10634734) is N-tert-butyl-1-[(2S,5S)-5-methyl-2-trimethylsilylpiperidin-1-yl]methanimine.
What is the SMILES notation for N-tert-butyl-1-[(2S,5S)-5-methyl-2-trimethylsilylpiperidin-1-yl]methanimine?
The canonical SMILES for N-tert-butyl-1-[(2S,5S)-5-methyl-2-trimethylsilylpiperidin-1-yl]methanimine is C[C@H]1CC[C@H]([Si](C)(C)C)N(/C=N/C(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-1-[(2S,5S)-5-methyl-2-trimethylsilylpiperidin-1-yl]methanimine?
The InChIKey is VJGRDNWJRSIXQY-RFLGGOROSA-N. The full InChI is InChI=1S/C14H30N2Si/c1-12-8-9-13(17(5,6)7)16(10-12)11-15-14(2,3)4/h11-13H,8-10H2,1-7H3/b15-11+/t12-,13-/m0/s1.
What are the key properties of N-tert-butyl-1-[(2S,5S)-5-methyl-2-trimethylsilylpiperidin-1-yl]methanimine?
N-tert-butyl-1-[(2S,5S)-5-methyl-2-trimethylsilylpiperidin-1-yl]methanimine has a molecular weight of 254.49 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[(2S,5S)-5-methyl-2-trimethylsilylpiperidin-1-yl]methanimine is sourced from PubChem (CID 10634734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).