1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine

C15H22N2O2 — CID 63062447

IUPAC1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine
SMILESCC1(NCCc2ccccc2[N+](=O)[O-])CCCCC1
InChIInChI=1S/C15H22N2O2/c1-15(10-5-2-6-11-15)16-12-9-13-7-3-4-8-14(13)17(18)19/h3-4,7-8,16H,2,5-6,9-12H2,1H3
InChIKeyZEQVKXJSADAKJM-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.45
Rot. Bonds5

About 1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine

1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine (PubChem CID 63062447) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine
PubChem CID63062447
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine
SMILESCC1(NCCc2ccccc2[N+](=O)[O-])CCCCC1
InChIInChI=1S/C15H22N2O2/c1-15(10-5-2-6-11-15)16-12-9-13-7-3-4-8-14(13)17(18)19/h3-4,7-8,16H,2,5-6,9-12H2,1H3
InChIKeyZEQVKXJSADAKJM-UHFFFAOYSA-N
XLogP3.45
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
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

3-methyl-N-[2-(2-nitrophenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 63062115
N-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63821333
2-[[(1-methylcyclopentyl)amino]methyl]-6-nitrobenzoic acid
CID 103243399
N-[2-(2-nitrophenyl)ethyl]cyclooctanamine
CID 63063998
1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine
CID 106827568
1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 65020410
N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine
CID 103735801
N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine
CID 82722032
1,1-dimethyl-2-[2-(2-nitrophenyl)ethyl]hydrazine
CID 83014156
[1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524980
[1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine
CID 65391894
[1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine
CID 65394636

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine (CID 63062447) is 1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine is CC1(NCCc2ccccc2[N+](=O)[O-])CCCCC1.
What is the InChIKey of 1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine?
The InChIKey is ZEQVKXJSADAKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(10-5-2-6-11-15)16-12-9-13-7-3-4-8-14(13)17(18)19/h3-4,7-8,16H,2,5-6,9-12H2,1H3.
What are the key properties of 1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine?
1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 63062447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).