N-(1-cyclopentylethyl)-2-methyl-4-nitroaniline

C14H20N2O2 — CID 62632277

IUPACN-(1-cyclopentylethyl)-2-methyl-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])ccc1NC(C)C1CCCC1
InChIInChI=1S/C14H20N2O2/c1-10-9-13(16(17)18)7-8-14(10)15-11(2)12-5-3-4-6-12/h7-9,11-12,15H,3-6H2,1-2H3
InChIKeyWLVQEZBASKZLCL-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.89
Rot. Bonds4

About N-(1-cyclopentylethyl)-2-methyl-4-nitroaniline

N-(1-cyclopentylethyl)-2-methyl-4-nitroaniline (PubChem CID 62632277) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-2-methyl-4-nitroaniline.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-2-methyl-4-nitroaniline
PubChem CID62632277
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(1-cyclopentylethyl)-2-methyl-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])ccc1NC(C)C1CCCC1
InChIInChI=1S/C14H20N2O2/c1-10-9-13(16(17)18)7-8-14(10)15-11(2)12-5-3-4-6-12/h7-9,11-12,15H,3-6H2,1-2H3
InChIKeyWLVQEZBASKZLCL-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-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454
N-(1-cyclopentylethyl)-2,5-dimethyl-4-nitroaniline
CID 103144991
N-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline
CID 103145121
N-(1-cyclohexylethyl)-2,4-dimethylaniline
CID 43755727
2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-nitroaniline
CID 43718443
4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
CID 63418980
2-fluoro-4-nitro-N-[1-(oxan-4-yl)ethyl]aniline
CID 103768416
2-fluoro-4-nitro-N-[(1S)-1-(oxan-4-yl)ethyl]aniline
CID 124679738
N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline
CID 63451061
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
2-(2-methyl-4-nitroanilino)cyclohexan-1-ol
CID 62359446
2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline
CID 106891570

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-2-methyl-4-nitroaniline?
The IUPAC name of N-(1-cyclopentylethyl)-2-methyl-4-nitroaniline (CID 62632277) is N-(1-cyclopentylethyl)-2-methyl-4-nitroaniline.
What is the SMILES notation for N-(1-cyclopentylethyl)-2-methyl-4-nitroaniline?
The canonical SMILES for N-(1-cyclopentylethyl)-2-methyl-4-nitroaniline is Cc1cc([N+](=O)[O-])ccc1NC(C)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-2-methyl-4-nitroaniline?
The InChIKey is WLVQEZBASKZLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-9-13(16(17)18)7-8-14(10)15-11(2)12-5-3-4-6-12/h7-9,11-12,15H,3-6H2,1-2H3.
What are the key properties of N-(1-cyclopentylethyl)-2-methyl-4-nitroaniline?
N-(1-cyclopentylethyl)-2-methyl-4-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-(1-cyclopentylethyl)-2-methyl-4-nitroaniline is sourced from PubChem (CID 62632277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).