1-cyclohexyl-N-[(2-methylpropan-2-yl)oxy]-1-(3-nitrophenyl)methanimine

C17H24N2O3 — CID 164987888

IUPAC1-cyclohexyl-N-[(2-methylpropan-2-yl)oxy]-1-(3-nitrophenyl)methanimine
SMILESCC(C)(C)ON=C(c1cccc([N+](=O)[O-])c1)C1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-18-16(13-8-5-4-6-9-13)14-10-7-11-15(12-14)19(20)21/h7,10-13H,4-6,8-9H2,1-3H3
InChIKeyGKQJDPGOCKLSSZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.69
Rot. Bonds4

About 1-cyclohexyl-N-[(2-methylpropan-2-yl)oxy]-1-(3-nitrophenyl)methanimine

1-cyclohexyl-N-[(2-methylpropan-2-yl)oxy]-1-(3-nitrophenyl)methanimine (PubChem CID 164987888) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2-methylpropan-2-yl)oxy]-1-(3-nitrophenyl)methanimine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2-methylpropan-2-yl)oxy]-1-(3-nitrophenyl)methanimine
PubChem CID164987888
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-cyclohexyl-N-[(2-methylpropan-2-yl)oxy]-1-(3-nitrophenyl)methanimine
SMILESCC(C)(C)ON=C(c1cccc([N+](=O)[O-])c1)C1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-18-16(13-8-5-4-6-9-13)14-10-7-11-15(12-14)19(20)21/h7,10-13H,4-6,8-9H2,1-3H3
InChIKeyGKQJDPGOCKLSSZ-UHFFFAOYSA-N
XLogP4.69
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cycloheptane;1-(3-nitrophenyl)ethanone
CID 142103484
(dicyclohexylamino) 3-nitrobenzoate
CID 174450563
(cyclohexylamino) 3-nitrobenzoate
CID 87667108
methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate
CID 79836137
tert-butyl 1-[4-(3-nitrobenzoyl)piperazin-1-yl]piperidine-4-carboxylate
CID 140984728
methyl 1-(3-nitrobenzoyl)piperidine-3-carboxylate
CID 78919014
[(2R)-2-methylpiperidin-1-yl]-(3-nitrophenyl)methanone
CID 40541675
methyl (1E)-N-hydroxy-3-nitrobenzenecarboximidate
CID 6516814
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide
CID 1358532
3-cyclohexyl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide
CID 117071464
(2Z)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]imino-2-(3-nitrophenyl)acetic acid
CID 19418728
tert-butyl (2S)-2-[[(3-nitrobenzoyl)amino]carbamoyl]pyrrolidine-1-carboxylate
CID 55944175

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2-methylpropan-2-yl)oxy]-1-(3-nitrophenyl)methanimine?
The IUPAC name of 1-cyclohexyl-N-[(2-methylpropan-2-yl)oxy]-1-(3-nitrophenyl)methanimine (CID 164987888) is 1-cyclohexyl-N-[(2-methylpropan-2-yl)oxy]-1-(3-nitrophenyl)methanimine.
What is the SMILES notation for 1-cyclohexyl-N-[(2-methylpropan-2-yl)oxy]-1-(3-nitrophenyl)methanimine?
The canonical SMILES for 1-cyclohexyl-N-[(2-methylpropan-2-yl)oxy]-1-(3-nitrophenyl)methanimine is CC(C)(C)ON=C(c1cccc([N+](=O)[O-])c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(2-methylpropan-2-yl)oxy]-1-(3-nitrophenyl)methanimine?
The InChIKey is GKQJDPGOCKLSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)22-18-16(13-8-5-4-6-9-13)14-10-7-11-15(12-14)19(20)21/h7,10-13H,4-6,8-9H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-[(2-methylpropan-2-yl)oxy]-1-(3-nitrophenyl)methanimine?
1-cyclohexyl-N-[(2-methylpropan-2-yl)oxy]-1-(3-nitrophenyl)methanimine has a molecular weight of 304.39 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2-methylpropan-2-yl)oxy]-1-(3-nitrophenyl)methanimine is sourced from PubChem (CID 164987888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).