N-[(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)methyl]methanimine

C7H10NO3- — CID 117274197

IUPACN-[(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)methyl]methanimine
SMILES[H]/[C-]=N/CC12OCC(C)(CO1)O2
InChIInChI=1S/C7H10NO3/c1-6-4-9-7(11-6,3-8-2)10-5-6/h2H,3-5H2,1H3/q-1
InChIKeyRYMCRLOPLAJQMK-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.05
Rot. Bonds2

About N-[(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)methyl]methanimine

N-[(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)methyl]methanimine (PubChem CID 117274197) has the molecular formula C7H10NO3- and a molecular weight of 156.16 g/mol. Its IUPAC name is N-[(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)methyl]methanimine.

Molecular Properties

Compound NameN-[(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)methyl]methanimine
PubChem CID117274197
Molecular FormulaC7H10NO3-
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC NameN-[(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)methyl]methanimine
SMILES[H]/[C-]=N/CC12OCC(C)(CO1)O2
InChIInChI=1S/C7H10NO3/c1-6-4-9-7(11-6,3-8-2)10-5-6/h2H,3-5H2,1H3/q-1
InChIKeyRYMCRLOPLAJQMK-UHFFFAOYSA-N
XLogP0.05
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(bromomethyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
CID 91623749
tert-butyl N-[(5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl)methyl]carbamate
CID 134988529
1-[2-[4-(4-dimethylphosphorylphenyl)phenyl]ethyl]-4-methyl-2,6,7-trioxabicyclo[2.2.1]heptane
CID 59131452
1-ethyl-4-methyl-2,5-dioxabicyclo[2.2.2]octane
CID 102179399
(4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane
CID 58254236
4-bromo-2,2,4-trimethyl-1,3-dioxolane
CID 163687998
2,2,4,4,10,10,12,12-octamethyl-7,14-dioxadispiro[5.1.58.26]pentadecane
CID 134123589
4-methyl-1-pentyl-2,6,7-trioxabicyclo[2.2.2]octane
CID 13123202
N,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane
CID 163386010
1-(3-bromopropyl)-4-methyl-2,5,7-trioxabicyclo[2.2.2]octane
CID 66696532
3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine
CID 115010708
2-chloro-2-methyloxirane
CID 15120421

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)methyl]methanimine?
The IUPAC name of N-[(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)methyl]methanimine (CID 117274197) is N-[(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)methyl]methanimine.
What is the SMILES notation for N-[(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)methyl]methanimine?
The canonical SMILES for N-[(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)methyl]methanimine is [H]/[C-]=N/CC12OCC(C)(CO1)O2.
What is the InChIKey of N-[(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)methyl]methanimine?
The InChIKey is RYMCRLOPLAJQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NO3/c1-6-4-9-7(11-6,3-8-2)10-5-6/h2H,3-5H2,1H3/q-1.
What are the key properties of N-[(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)methyl]methanimine?
N-[(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)methyl]methanimine has a molecular weight of 156.16 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)methyl]methanimine is sourced from PubChem (CID 117274197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).