N-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine

C17H23NO2 — CID 14133091

IUPACN-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine
SMILESC[C@H]1OC2(CCCCC2)O[C@@H]1/C=N/Cc1ccccc1
InChIInChI=1S/C17H23NO2/c1-14-16(13-18-12-15-8-4-2-5-9-15)20-17(19-14)10-6-3-7-11-17/h2,4-5,8-9,13-14,16H,3,6-7,10-12H2,1H3/b18-13+/t14-,16-/m1/s1
InChIKeyQLBHARDMPMJWEL-RAWZQSCHSA-N
MW273.38 g/mol
LogP3.72
Rot. Bonds3

About N-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine

N-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine (PubChem CID 14133091) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine.

Molecular Properties

Compound NameN-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine
PubChem CID14133091
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine
SMILESC[C@H]1OC2(CCCCC2)O[C@@H]1/C=N/Cc1ccccc1
InChIInChI=1S/C17H23NO2/c1-14-16(13-18-12-15-8-4-2-5-9-15)20-17(19-14)10-6-3-7-11-17/h2,4-5,8-9,13-14,16H,3,6-7,10-12H2,1H3/b18-13+/t14-,16-/m1/s1
InChIKeyQLBHARDMPMJWEL-RAWZQSCHSA-N
XLogP3.72
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 42642786
Mveveebnmblbjg-pmacekpbsa-
CID 10860732
N-benzhydryl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 14065529
(S,Z)-N-((2,2-dimethyl-1,3-dioxolan-4-yl)methylene)-1-phenylmethanamine oxide
CID 2753972
(Z)-N-Benzyl-1-((4S,5R)-2,2-dimethyl-5-vinyl-1,3-dioxolan-4-YL)methanimine oxide
CID 10801381
N-benzyl-1,4-dioxaspiro[4.5]decan-8-imine
CID 11043015
N-benzyl-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 11368337
N-benzyl-2,2-diethoxyethanimine
CID 13977689
N-benzyl-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanimine oxide
CID 9998318
1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N-benzylmethanimine oxide
CID 10244692
N-benzyl-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 10339695
N-benzyl-1-(oxolan-2-yl)methanimine oxide
CID 10398033

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine?
The IUPAC name of N-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine (CID 14133091) is N-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine.
What is the SMILES notation for N-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine?
The canonical SMILES for N-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine is C[C@H]1OC2(CCCCC2)O[C@@H]1/C=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine?
The InChIKey is QLBHARDMPMJWEL-RAWZQSCHSA-N. The full InChI is InChI=1S/C17H23NO2/c1-14-16(13-18-12-15-8-4-2-5-9-15)20-17(19-14)10-6-3-7-11-17/h2,4-5,8-9,13-14,16H,3,6-7,10-12H2,1H3/b18-13+/t14-,16-/m1/s1.
What are the key properties of N-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine?
N-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine has a molecular weight of 273.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine is sourced from PubChem (CID 14133091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).