N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline

C14H20N2O2 — CID 113483374

IUPACN-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline
SMILESCCC1CCCC1Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C14H20N2O2/c1-3-11-5-4-6-13(11)15-14-9-12(16(17)18)8-7-10(14)2/h7-9,11,13,15H,3-6H2,1-2H3
InChIKeySRCBEEZUWOWRPO-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.89
Rot. Bonds4

About N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline

N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline (PubChem CID 113483374) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline.

Molecular Properties

Compound NameN-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline
PubChem CID113483374
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline
SMILESCCC1CCCC1Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C14H20N2O2/c1-3-11-5-4-6-13(11)15-14-9-12(16(17)18)8-7-10(14)2/h7-9,11,13,15H,3-6H2,1-2H3
InChIKeySRCBEEZUWOWRPO-UHFFFAOYSA-N
XLogP3.89
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.89
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

N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline
CID 62589032
2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline
CID 63735458
5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 115555784
N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline
CID 103720942
N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline
CID 64762432
1-N-(2-methyl-5-nitrophenyl)cyclohexane-1,3-diamine
CID 79458653
N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline
CID 63541805
[2-(2-bromo-4-nitroanilino)cyclohexyl]methanol
CID 106362304
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-nitrobenzoic acid
CID 106361797
trans-(1R,2R)-2-N-(2-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 93453752
2-N-(2-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 54905535
4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline
CID 55223833

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline?
The IUPAC name of N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline (CID 113483374) is N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline.
What is the SMILES notation for N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline?
The canonical SMILES for N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline is CCC1CCCC1Nc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline?
The InChIKey is SRCBEEZUWOWRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-11-5-4-6-13(11)15-14-9-12(16(17)18)8-7-10(14)2/h7-9,11,13,15H,3-6H2,1-2H3.
What are the key properties of N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline?
N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline has a molecular weight of 248.33 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline is sourced from PubChem (CID 113483374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).