N-[2-(4-nitrophenyl)ethyl]cyclopentanamine

C13H18N2O2 — CID 43519882

IUPACN-[2-(4-nitrophenyl)ethyl]cyclopentanamine
SMILESO=[N+]([O-])c1ccc(CCNC2CCCC2)cc1
InChIInChI=1S/C13H18N2O2/c16-15(17)13-7-5-11(6-8-13)9-10-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9-10H2
InChIKeyBFUPZCOCQZVKPG-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.67
Rot. Bonds5

About N-[2-(4-nitrophenyl)ethyl]cyclopentanamine

N-[2-(4-nitrophenyl)ethyl]cyclopentanamine (PubChem CID 43519882) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)ethyl]cyclopentanamine
PubChem CID43519882
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[2-(4-nitrophenyl)ethyl]cyclopentanamine
SMILESO=[N+]([O-])c1ccc(CCNC2CCCC2)cc1
InChIInChI=1S/C13H18N2O2/c16-15(17)13-7-5-11(6-8-13)9-10-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9-10H2
InChIKeyBFUPZCOCQZVKPG-UHFFFAOYSA-N
XLogP2.67
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.67
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-nitrophenyl)ethyl]azepan-4-amine
CID 103981778
N-[2-(4-nitrophenyl)ethyl]-1,1-dioxothian-3-amine
CID 63923818
2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol
CID 61220239
1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
CID 61219668
N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine
CID 63335701
2-[2-(4-nitrophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103243126
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
4-[2-(cyclooctylamino)ethyl]phenol
CID 61238875
1-N,2-N-bis[(4-nitrophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040612
N-[2-(2-nitrophenyl)ethyl]cyclooctanamine
CID 63063998
N-[3-(4-nitrophenoxy)propyl]cyclopentanamine;oxalic acid
CID 2949061
3-ethyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]cyclopentan-1-amine
CID 64921989

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(4-nitrophenyl)ethyl]cyclopentanamine (CID 43519882) is N-[2-(4-nitrophenyl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(4-nitrophenyl)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(4-nitrophenyl)ethyl]cyclopentanamine is O=[N+]([O-])c1ccc(CCNC2CCCC2)cc1.
What is the InChIKey of N-[2-(4-nitrophenyl)ethyl]cyclopentanamine?
The InChIKey is BFUPZCOCQZVKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-15(17)13-7-5-11(6-8-13)9-10-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9-10H2.
What are the key properties of N-[2-(4-nitrophenyl)ethyl]cyclopentanamine?
N-[2-(4-nitrophenyl)ethyl]cyclopentanamine has a molecular weight of 234.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)ethyl]cyclopentanamine is sourced from PubChem (CID 43519882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).