2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine

C15H20N2O2 — CID 106173882

IUPAC2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
SMILESCc1c(CNCCC2=CCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O2/c1-12-14(7-4-8-15(12)17(18)19)11-16-10-9-13-5-2-3-6-13/h4-5,7-8,16H,2-3,6,9-11H2,1H3
InChIKeyDVFVHLRXUKYBHA-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.49
Rot. Bonds6

About 2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine

2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine (PubChem CID 106173882) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
PubChem CID106173882
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
SMILESCc1c(CNCCC2=CCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O2/c1-12-14(7-4-8-15(12)17(18)19)11-16-10-9-13-5-2-3-6-13/h4-5,7-8,16H,2-3,6,9-11H2,1H3
InChIKeyDVFVHLRXUKYBHA-UHFFFAOYSA-N
XLogP3.49
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 113334945
N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 43509035
N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
N-[(2-methyl-3-nitrophenyl)methyl]-2-thiophen-2-ylethanamine
CID 43509008
2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 63828219
N-[(5-chloro-2-nitrophenyl)methyl]-2-(cyclohexen-1-yl)ethanamine
CID 78998810
2-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 43591038
N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide
CID 103845316
2-[(2-methyl-3-nitrophenyl)methylamino]ethylurea
CID 83113507
N-[(2-methyl-3-nitrophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 103114868
N-[(2-methyl-3-nitrophenyl)methyl]-2-propan-2-yloxyethanamine
CID 104760132
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine?
The IUPAC name of 2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine (CID 106173882) is 2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine?
The canonical SMILES for 2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine is Cc1c(CNCCC2=CCCC2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine?
The InChIKey is DVFVHLRXUKYBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12-14(7-4-8-15(12)17(18)19)11-16-10-9-13-5-2-3-6-13/h4-5,7-8,16H,2-3,6,9-11H2,1H3.
What are the key properties of 2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine?
2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 106173882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).