N-[(4-nitrophenyl)methyl]cyclopentanamine

C12H16N2O2 — CID 870245

IUPACN-[(4-nitrophenyl)methyl]cyclopentanamine
SMILESO=[N+]([O-])c1ccc(CNC2CCCC2)cc1
InChIInChI=1S/C12H16N2O2/c15-14(16)12-7-5-10(6-8-12)9-13-11-3-1-2-4-11/h5-8,11,13H,1-4,9H2
InChIKeySBJOXANGVLVJFT-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.63
Rot. Bonds4

About N-[(4-nitrophenyl)methyl]cyclopentanamine

N-[(4-nitrophenyl)methyl]cyclopentanamine (PubChem CID 870245) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[(4-nitrophenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-nitrophenyl)methyl]cyclopentanamine
PubChem CID870245
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[(4-nitrophenyl)methyl]cyclopentanamine
SMILESO=[N+]([O-])c1ccc(CNC2CCCC2)cc1
InChIInChI=1S/C12H16N2O2/c15-14(16)12-7-5-10(6-8-12)9-13-11-3-1-2-4-11/h5-8,11,13H,1-4,9H2
InChIKeySBJOXANGVLVJFT-UHFFFAOYSA-N
XLogP2.63
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.63
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(4-nitrophenyl)methyl]cyclopentanamine (CID 870245) is N-[(4-nitrophenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-nitrophenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-nitrophenyl)methyl]cyclopentanamine is O=[N+]([O-])c1ccc(CNC2CCCC2)cc1.
What is the InChIKey of N-[(4-nitrophenyl)methyl]cyclopentanamine?
The InChIKey is SBJOXANGVLVJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-14(16)12-7-5-10(6-8-12)9-13-11-3-1-2-4-11/h5-8,11,13H,1-4,9H2.
What are the key properties of N-[(4-nitrophenyl)methyl]cyclopentanamine?
N-[(4-nitrophenyl)methyl]cyclopentanamine has a molecular weight of 220.27 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)methyl]cyclopentanamine is sourced from PubChem (CID 870245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).