N-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine

C14H20N2O2 — CID 757291

IUPACN-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine
SMILESCN(Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-15(13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)16(17)18/h7-10,13H,2-6,11H2,1H3
InChIKeyIGFWXWRWGQBYBT-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.36
Rot. Bonds4

About N-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine

N-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine (PubChem CID 757291) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine
PubChem CID757291
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine
SMILESCN(Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-15(13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)16(17)18/h7-10,13H,2-6,11H2,1H3
InChIKeyIGFWXWRWGQBYBT-UHFFFAOYSA-N
XLogP3.36
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]piperidin-4-amine
CID 19784343
N-methyl-N-[(4-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922933
CID 174466109
CID 174466109
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62424446
2-[cyclobutyl-[(4-nitrophenyl)methyl]amino]ethanol
CID 102676847
N-cyclohexyl-N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 71897935
N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 106622922
N-methyl-N-[(4-trimethylsilylphenyl)methyl]cyclohexanamine
CID 103438253
4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
CID 166523994
N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide
CID 3319709
cycloheptyl-[(4-nitrophenyl)methyl]azanium
CID 4743395
N-tert-butyl-2-methyl-N-[(4-nitrophenyl)methyl]propan-2-amine;cyclohexane;ethane;methane;propane
CID 157285276

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine?
The IUPAC name of N-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine (CID 757291) is N-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine?
The canonical SMILES for N-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine is CN(Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1.
What is the InChIKey of N-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine?
The InChIKey is IGFWXWRWGQBYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15(13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)16(17)18/h7-10,13H,2-6,11H2,1H3.
What are the key properties of N-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine?
N-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine has a molecular weight of 248.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine is sourced from PubChem (CID 757291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).