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

C14H20N2O2 — CID 63535583

IUPACN-(2-cyclopentylethyl)-2-methyl-5-nitroaniline
SMILESCc1ccc([N+](=O)[O-])cc1NCCC1CCCC1
InChIInChI=1S/C14H20N2O2/c1-11-6-7-13(16(17)18)10-14(11)15-9-8-12-4-2-3-5-12/h6-7,10,12,15H,2-5,8-9H2,1H3
InChIKeyQVVUGLIWFAPCKU-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.90
Rot. Bonds5

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

N-(2-cyclopentylethyl)-2-methyl-5-nitroaniline (PubChem CID 63535583) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-2-methyl-5-nitroaniline.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-2-methyl-5-nitroaniline
PubChem CID63535583
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-cyclopentylethyl)-2-methyl-5-nitroaniline
SMILESCc1ccc([N+](=O)[O-])cc1NCCC1CCCC1
InChIInChI=1S/C14H20N2O2/c1-11-6-7-13(16(17)18)10-14(11)15-9-8-12-4-2-3-5-12/h6-7,10,12,15H,2-5,8-9H2,1H3
InChIKeyQVVUGLIWFAPCKU-UHFFFAOYSA-N
XLogP3.90
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.90
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

2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitroaniline
CID 114516044
N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline
CID 104757559
2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248421
2-methyl-5-nitro-N-(3,3,3-trifluoropropyl)aniline
CID 63227359
actinium;2-(2-methyl-5-nitroanilino)ethylazanide
CID 21364796
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyl-5-nitroaniline
CID 107389634
N-(2-cyclohexylethyl)-3-methyl-4-nitroaniline
CID 55223628
N-heptyl-2-methyl-5-nitroaniline
CID 43718518
2-methyl-5-nitro-N-octylaniline
CID 43718449
N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline
CID 79034338
N-(2-cyclopentylethyl)-6-nitro-1,3-benzoxazol-2-amine
CID 79881137
N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-2-methyl-5-nitroaniline?
The IUPAC name of N-(2-cyclopentylethyl)-2-methyl-5-nitroaniline (CID 63535583) is N-(2-cyclopentylethyl)-2-methyl-5-nitroaniline.
What is the SMILES notation for N-(2-cyclopentylethyl)-2-methyl-5-nitroaniline?
The canonical SMILES for N-(2-cyclopentylethyl)-2-methyl-5-nitroaniline is Cc1ccc([N+](=O)[O-])cc1NCCC1CCCC1.
What is the InChIKey of N-(2-cyclopentylethyl)-2-methyl-5-nitroaniline?
The InChIKey is QVVUGLIWFAPCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-6-7-13(16(17)18)10-14(11)15-9-8-12-4-2-3-5-12/h6-7,10,12,15H,2-5,8-9H2,1H3.
What are the key properties of N-(2-cyclopentylethyl)-2-methyl-5-nitroaniline?
N-(2-cyclopentylethyl)-2-methyl-5-nitroaniline has a molecular weight of 248.33 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-2-methyl-5-nitroaniline is sourced from PubChem (CID 63535583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).