3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine

C16H24N2O2 — CID 64921989

IUPAC3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine
SMILESCCC1CCC(NCCc2ccc([N+](=O)[O-])cc2)C1C
InChIInChI=1S/C16H24N2O2/c1-3-14-6-9-16(12(14)2)17-11-10-13-4-7-15(8-5-13)18(19)20/h4-5,7-8,12,14,16-17H,3,6,9-11H2,1-2H3
InChIKeyRORBTUCSPBMUPA-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.55
Rot. Bonds6

About 3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine

3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine (PubChem CID 64921989) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine
PubChem CID64921989
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine
SMILESCCC1CCC(NCCc2ccc([N+](=O)[O-])cc2)C1C
InChIInChI=1S/C16H24N2O2/c1-3-14-6-9-16(12(14)2)17-11-10-13-4-7-15(8-5-13)18(19)20/h4-5,7-8,12,14,16-17H,3,6,9-11H2,1-2H3
InChIKeyRORBTUCSPBMUPA-UHFFFAOYSA-N
XLogP3.55
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.55
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'}

Analyze 3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-nitrophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103243126
2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol
CID 61220239
N-[2-(4-nitrophenyl)ethyl]cyclopentanamine
CID 43519882
1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
CID 61219668
N-[2-(4-nitrophenyl)ethyl]azepan-4-amine
CID 103981778
2-(difluoromethyl)-N-(3-ethyl-2-methylcyclopentyl)-4-nitroaniline
CID 64923386
N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine
CID 63335701
3-N-(3-ethyl-2-methylcyclopentyl)-5-nitrobenzene-1,3-diamine
CID 80841387
3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
CID 64921530
2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol
CID 112633872
N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide
CID 11201055
N-[2-(4-nitrophenyl)ethyl]formamide
CID 64992334

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine (CID 64921989) is 3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine is CCC1CCC(NCCc2ccc([N+](=O)[O-])cc2)C1C.
What is the InChIKey of 3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine?
The InChIKey is RORBTUCSPBMUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-14-6-9-16(12(14)2)17-11-10-13-4-7-15(8-5-13)18(19)20/h4-5,7-8,12,14,16-17H,3,6,9-11H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine?
3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 64921989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).