N-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine

C17H25N3O3 — CID 173451113

IUPACN-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine
SMILESCCON=C1CCCCC1=Cc1ccc([N+](=O)[O-])cc1.CNC
InChIInChI=1S/C15H18N2O3.C2H7N/c1-2-20-16-15-6-4-3-5-13(15)11-12-7-9-14(10-8-12)17(18)19;1-3-2/h7-11H,2-6H2,1H3;3H,1-2H3
InChIKeyOOGBZICDGKGNQW-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.78
Rot. Bonds4

About N-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine

N-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine (PubChem CID 173451113) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine.

Molecular Properties

Compound NameN-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine
PubChem CID173451113
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine
SMILESCCON=C1CCCCC1=Cc1ccc([N+](=O)[O-])cc1.CNC
InChIInChI=1S/C15H18N2O3.C2H7N/c1-2-20-16-15-6-4-3-5-13(15)11-12-7-9-14(10-8-12)17(18)19;1-3-2/h7-11H,2-6H2,1H3;3H,1-2H3
InChIKeyOOGBZICDGKGNQW-UHFFFAOYSA-N
XLogP3.78
TPSA76.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze N-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,7E)-3,7-bis[(4-nitrophenyl)methylidene]cycloheptane-1,2-dione
CID 6176725
(2Z)-2-[(4-nitrophenyl)methylidene]cyclohexan-1-one
CID 54600271
1-(ethoxymethyl)-4-nitrobenzene;N-methylmethanamine
CID 70210038
ethyl (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxopiperidine-1-carboxylate
CID 24829077
1-(cyclobutylidenemethyl)-4-nitrobenzene;4-ethyl-2-methylaniline
CID 145267817
ethyl 3,5-bis[(4-nitrophenyl)methylidene]-4-oxocyclohexane-1-carboxylate
CID 75946127
(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-propylpiperidin-1-ium-4-one
CID 2256017
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-nitroaniline
CID 5332551
2-[(4-ethoxyphenyl)methylidene]cyclohexan-1-one
CID 68643092
ethyl 3-[(3Z,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxopiperidin-1-yl]propanoate
CID 51134281
1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol
CID 19744136
N-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine
CID 50986575

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine?
The IUPAC name of N-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine (CID 173451113) is N-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine.
What is the SMILES notation for N-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine?
The canonical SMILES for N-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine is CCON=C1CCCCC1=Cc1ccc([N+](=O)[O-])cc1.CNC.
What is the InChIKey of N-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine?
The InChIKey is OOGBZICDGKGNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3.C2H7N/c1-2-20-16-15-6-4-3-5-13(15)11-12-7-9-14(10-8-12)17(18)19;1-3-2/h7-11H,2-6H2,1H3;3H,1-2H3.
What are the key properties of N-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine?
N-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine has a molecular weight of 319.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine is sourced from PubChem (CID 173451113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).