N-[2-(2-nitrophenyl)ethyl]cyclooctanamine

C16H24N2O2 — CID 63063998

IUPACN-[2-(2-nitrophenyl)ethyl]cyclooctanamine
SMILESO=[N+]([O-])c1ccccc1CCNC1CCCCCCC1
InChIInChI=1S/C16H24N2O2/c19-18(20)16-11-7-6-8-14(16)12-13-17-15-9-4-2-1-3-5-10-15/h6-8,11,15,17H,1-5,9-10,12-13H2
InChIKeySFUNSIYJTASGAU-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.84
Rot. Bonds5

About N-[2-(2-nitrophenyl)ethyl]cyclooctanamine

N-[2-(2-nitrophenyl)ethyl]cyclooctanamine (PubChem CID 63063998) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(2-nitrophenyl)ethyl]cyclooctanamine.

Molecular Properties

Compound NameN-[2-(2-nitrophenyl)ethyl]cyclooctanamine
PubChem CID63063998
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(2-nitrophenyl)ethyl]cyclooctanamine
SMILESO=[N+]([O-])c1ccccc1CCNC1CCCCCCC1
InChIInChI=1S/C16H24N2O2/c19-18(20)16-11-7-6-8-14(16)12-13-17-15-9-4-2-1-3-5-10-15/h6-8,11,15,17H,1-5,9-10,12-13H2
InChIKeySFUNSIYJTASGAU-UHFFFAOYSA-N
XLogP3.84
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.84
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

4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 63064027
2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine
CID 83033151
N-[2-(cycloheptylamino)ethyl]-2-nitrobenzamide;hydrochloride
CID 91645413
N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 63062965
N-cycloheptyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306651
1-methyl-3-[2-(2-nitrophenyl)ethylamino]pyrrolidin-2-one
CID 103711175
N-[2-(4-nitrophenyl)ethyl]cyclopentanamine
CID 43519882
1-(2-bromo-2-cyclohexylethyl)-2-nitrobenzene
CID 63544135
(1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine
CID 81384906
2-(2-nitrophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 63063831
2-[2-(cyclopentylamino)ethyl]benzoic acid
CID 82934034
1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine
CID 63062447

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-nitrophenyl)ethyl]cyclooctanamine?
The IUPAC name of N-[2-(2-nitrophenyl)ethyl]cyclooctanamine (CID 63063998) is N-[2-(2-nitrophenyl)ethyl]cyclooctanamine.
What is the SMILES notation for N-[2-(2-nitrophenyl)ethyl]cyclooctanamine?
The canonical SMILES for N-[2-(2-nitrophenyl)ethyl]cyclooctanamine is O=[N+]([O-])c1ccccc1CCNC1CCCCCCC1.
What is the InChIKey of N-[2-(2-nitrophenyl)ethyl]cyclooctanamine?
The InChIKey is SFUNSIYJTASGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-18(20)16-11-7-6-8-14(16)12-13-17-15-9-4-2-1-3-5-10-15/h6-8,11,15,17H,1-5,9-10,12-13H2.
What are the key properties of N-[2-(2-nitrophenyl)ethyl]cyclooctanamine?
N-[2-(2-nitrophenyl)ethyl]cyclooctanamine has a molecular weight of 276.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-nitrophenyl)ethyl]cyclooctanamine is sourced from PubChem (CID 63063998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).