N-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine

C21H23NO2 — CID 135003751

IUPACN-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine
SMILESc1ccc(C2O/C(=N\C3CCCCC3)C(c3ccccc3)O2)cc1
InChIInChI=1S/C21H23NO2/c1-4-10-16(11-5-1)19-20(22-18-14-8-3-9-15-18)24-21(23-19)17-12-6-2-7-13-17/h1-2,4-7,10-13,18-19,21H,3,8-9,14-15H2/b22-20-
InChIKeyNUXKTWPGRCJUGW-XDOYNYLZSA-N
MW321.42 g/mol
LogP5.20
Rot. Bonds3

About N-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine

N-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine (PubChem CID 135003751) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine.

Molecular Properties

Compound NameN-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine
PubChem CID135003751
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC NameN-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine
SMILESc1ccc(C2O/C(=N\C3CCCCC3)C(c3ccccc3)O2)cc1
InChIInChI=1S/C21H23NO2/c1-4-10-16(11-5-1)19-20(22-18-14-8-3-9-15-18)24-21(23-19)17-12-6-2-7-13-17/h1-2,4-7,10-13,18-19,21H,3,8-9,14-15H2/b22-20-
InChIKeyNUXKTWPGRCJUGW-XDOYNYLZSA-N
XLogP5.20
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 55.20
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

Mveveebnmblbjg-pmacekpbsa-
CID 10860732
3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyrrole
CID 69407146
[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-pentan-2-ylethanimidate
CID 123703017
[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate
CID 123721990
(2S)-N-[(1S)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine
CID 10861667
(2R,3R,4R)-4-(methoxymethoxy)-1-oxido-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyrrol-1-ium
CID 11462881
N-benzyl-1-[(4R,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanimine
CID 14709900
(2S)-N-[(1R)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine
CID 15497445
(4R,6S)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine
CID 101030851
(4R,6R)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine
CID 101030852
[2-[(4R,5S)-5-(4,5-dihydro-1,3-oxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]-diphenylphosphane
CID 101421162
(2S,3R,4R)-5-ethyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyrrole
CID 134864419

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine?
The IUPAC name of N-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine (CID 135003751) is N-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine.
What is the SMILES notation for N-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine?
The canonical SMILES for N-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine is c1ccc(C2O/C(=N\C3CCCCC3)C(c3ccccc3)O2)cc1.
What is the InChIKey of N-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine?
The InChIKey is NUXKTWPGRCJUGW-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H23NO2/c1-4-10-16(11-5-1)19-20(22-18-14-8-3-9-15-18)24-21(23-19)17-12-6-2-7-13-17/h1-2,4-7,10-13,18-19,21H,3,8-9,14-15H2/b22-20-.
What are the key properties of N-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine?
N-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine has a molecular weight of 321.42 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine is sourced from PubChem (CID 135003751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).