1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine

C15H22N2O2 — CID 55097157

IUPAC1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
SMILESCC(NC(C)C1CCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O2/c1-11(13-6-3-4-7-13)16-12(2)14-8-5-9-15(10-14)17(18)19/h5,8-13,16H,3-4,6-7H2,1-2H3
InChIKeyQVLCLRNKQWUJDU-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.82
Rot. Bonds5

About 1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine

1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine (PubChem CID 55097157) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
PubChem CID55097157
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
SMILESCC(NC(C)C1CCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O2/c1-11(13-6-3-4-7-13)16-12(2)14-8-5-9-15(10-14)17(18)19/h5,8-13,16H,3-4,6-7H2,1-2H3
InChIKeyQVLCLRNKQWUJDU-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
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

(1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 81387591
1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine
CID 62405360
1-(1-cyclobutylethyl)-3-nitrobenzene
CID 170732279
(S)-cyclopentyl-(3-nitrophenyl)methanamine
CID 131494278
(R)-cyclopentyl-(3-nitrophenyl)methanamine
CID 130054477
N-(cyclopropylmethyl)-1-(3-nitrophenyl)ethanamine
CID 43200769
2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
CID 115667947
(R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride
CID 171198023
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
1-N-[1-(3-nitrophenyl)ethyl]cyclobutane-1,3-diamine
CID 80560865
N-[1-(3-nitrophenyl)ethyl]thian-3-amine
CID 62873648
3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine
CID 64752209

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine?
The IUPAC name of 1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine (CID 55097157) is 1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine is CC(NC(C)C1CCCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine?
The InChIKey is QVLCLRNKQWUJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(13-6-3-4-7-13)16-12(2)14-8-5-9-15(10-14)17(18)19/h5,8-13,16H,3-4,6-7H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine?
1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine has a molecular weight of 262.35 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine is sourced from PubChem (CID 55097157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).