N-cyclopentyl-4-(2-methylpropyl)-2-nitroaniline

C15H22N2O2 — CID 123532833

IUPACN-cyclopentyl-4-(2-methylpropyl)-2-nitroaniline
SMILESCC(C)Cc1ccc(NC2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O2/c1-11(2)9-12-7-8-14(15(10-12)17(18)19)16-13-5-3-4-6-13/h7-8,10-11,13,16H,3-6,9H2,1-2H3
InChIKeyPCLKUHCRFCPKAS-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.15
Rot. Bonds5

About N-cyclopentyl-4-(2-methylpropyl)-2-nitroaniline

N-cyclopentyl-4-(2-methylpropyl)-2-nitroaniline (PubChem CID 123532833) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-cyclopentyl-4-(2-methylpropyl)-2-nitroaniline.

Molecular Properties

Compound NameN-cyclopentyl-4-(2-methylpropyl)-2-nitroaniline
PubChem CID123532833
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-cyclopentyl-4-(2-methylpropyl)-2-nitroaniline
SMILESCC(C)Cc1ccc(NC2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O2/c1-11(2)9-12-7-8-14(15(10-12)17(18)19)16-13-5-3-4-6-13/h7-8,10-11,13,16H,3-6,9H2,1-2H3
InChIKeyPCLKUHCRFCPKAS-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
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-(2,4-dinitrophenyl)cycloheptanamine
CID 9283016
N-cyclohexyl-4-fluoro-2-nitroaniline
CID 12793832
4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
4-(cyclohexylamino)-N-methyl-3-nitrobenzenesulfonamide
CID 9186979
N-cyclobutyl-4-iodo-2-nitroaniline
CID 63713876
4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide
CID 82989614
N-cyclohexyl-4-(2,5-dimethylpyrrol-1-yl)-2-nitroaniline
CID 2894670
ethyl 4-(cyclopentylamino)-3-nitrobenzoate
CID 86240601
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
4-methyl-2-[[4-[(1-methylpiperidin-4-yl)amino]-3-nitrophenyl]methylamino]pentanoic acid
CID 122538916
N-[5-(2-methylpropyl)-2-nitrophenyl]thiohydroxylamine
CID 57072672
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(cyclopropylamino)-3-nitrobenzoate
CID 7649945

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(2-methylpropyl)-2-nitroaniline?
The IUPAC name of N-cyclopentyl-4-(2-methylpropyl)-2-nitroaniline (CID 123532833) is N-cyclopentyl-4-(2-methylpropyl)-2-nitroaniline.
What is the SMILES notation for N-cyclopentyl-4-(2-methylpropyl)-2-nitroaniline?
The canonical SMILES for N-cyclopentyl-4-(2-methylpropyl)-2-nitroaniline is CC(C)Cc1ccc(NC2CCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-cyclopentyl-4-(2-methylpropyl)-2-nitroaniline?
The InChIKey is PCLKUHCRFCPKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)9-12-7-8-14(15(10-12)17(18)19)16-13-5-3-4-6-13/h7-8,10-11,13,16H,3-6,9H2,1-2H3.
What are the key properties of N-cyclopentyl-4-(2-methylpropyl)-2-nitroaniline?
N-cyclopentyl-4-(2-methylpropyl)-2-nitroaniline has a molecular weight of 262.35 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(2-methylpropyl)-2-nitroaniline is sourced from PubChem (CID 123532833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).