N-(3-ethyl-2-methylcyclopentyl)-3-methoxy-5-nitroaniline

C15H22N2O3 — CID 80724343

IUPACN-(3-ethyl-2-methylcyclopentyl)-3-methoxy-5-nitroaniline
SMILESCCC1CCC(Nc2cc(OC)cc([N+](=O)[O-])c2)C1C
InChIInChI=1S/C15H22N2O3/c1-4-11-5-6-15(10(11)2)16-12-7-13(17(18)19)9-14(8-12)20-3/h7-11,15-16H,4-6H2,1-3H3
InChIKeyIJUNQGLLMYEANM-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.84
Rot. Bonds5

About N-(3-ethyl-2-methylcyclopentyl)-3-methoxy-5-nitroaniline

N-(3-ethyl-2-methylcyclopentyl)-3-methoxy-5-nitroaniline (PubChem CID 80724343) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-3-methoxy-5-nitroaniline.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-3-methoxy-5-nitroaniline
PubChem CID80724343
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-3-methoxy-5-nitroaniline
SMILESCCC1CCC(Nc2cc(OC)cc([N+](=O)[O-])c2)C1C
InChIInChI=1S/C15H22N2O3/c1-4-11-5-6-15(10(11)2)16-12-7-13(17(18)19)9-14(8-12)20-3/h7-11,15-16H,4-6H2,1-3H3
InChIKeyIJUNQGLLMYEANM-UHFFFAOYSA-N
XLogP3.84
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-N-(3-ethyl-2-methylcyclopentyl)-5-nitrobenzene-1,3-diamine
CID 80841387
trans-(1R,2R)-2-N-(3-methoxy-5-nitrophenyl)cyclohexane-1,2-diamine
CID 102738670
N-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine
CID 64923576
3-(3-methoxy-5-nitroanilino)cyclohexane-1-carboxylic acid
CID 80743015
N-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 81155477
N-(2-methylcyclohexyl)-3-nitro-5-propoxyaniline
CID 80732060
ethyl 3-(3-methoxy-5-nitroanilino)cyclobutane-1-carboxylate
CID 142476778
2-(difluoromethyl)-N-(3-ethyl-2-methylcyclopentyl)-4-nitroaniline
CID 64923386
N-[2-(aminomethyl)cyclohexyl]-3-ethoxy-5-nitroaniline
CID 80744511
2-methyl-N-(3-nitro-5-propoxyphenyl)piperidin-3-amine
CID 114695450
N-(3-ethyl-2-methylcyclopentyl)-1-methyl-4-nitropyrazol-3-amine
CID 103079965
3-methoxy-5-nitro-N-(2-piperidin-4-yloxyethyl)aniline
CID 80744392

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-3-methoxy-5-nitroaniline?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-3-methoxy-5-nitroaniline (CID 80724343) is N-(3-ethyl-2-methylcyclopentyl)-3-methoxy-5-nitroaniline.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-3-methoxy-5-nitroaniline?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-3-methoxy-5-nitroaniline is CCC1CCC(Nc2cc(OC)cc([N+](=O)[O-])c2)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-3-methoxy-5-nitroaniline?
The InChIKey is IJUNQGLLMYEANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-11-5-6-15(10(11)2)16-12-7-13(17(18)19)9-14(8-12)20-3/h7-11,15-16H,4-6H2,1-3H3.
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-3-methoxy-5-nitroaniline?
N-(3-ethyl-2-methylcyclopentyl)-3-methoxy-5-nitroaniline has a molecular weight of 278.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-3-methoxy-5-nitroaniline is sourced from PubChem (CID 80724343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).