1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine

C13H18N2O2 — CID 65020410

IUPAC1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
SMILESNC1(CCc2ccccc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C13H18N2O2/c14-13(8-3-4-9-13)10-7-11-5-1-2-6-12(11)15(16)17/h1-2,5-6H,3-4,7-10,14H2
InChIKeyJWCOIKYCYLPDBN-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.80
Rot. Bonds4

About 1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine

1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine (PubChem CID 65020410) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
PubChem CID65020410
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
SMILESNC1(CCc2ccccc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C13H18N2O2/c14-13(8-3-4-9-13)10-7-11-5-1-2-6-12(11)15(16)17/h1-2,5-6H,3-4,7-10,14H2
InChIKeyJWCOIKYCYLPDBN-UHFFFAOYSA-N
XLogP2.80
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.80
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

[1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine
CID 65394636
1-[2-(2-nitrophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 65194906
1-[2-(2-nitrophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 66025957
N-[(1-aminocyclobutyl)methyl]-1-(2-nitrophenyl)methanesulfonamide
CID 103352843
[1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine
CID 65391894
1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine
CID 106827568
2-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
CID 75424637
2-cyclopropyl-3-[2-(2-nitrophenyl)ethyl]oxolan-3-amine
CID 104510309
[3-[2-(2-nitrophenyl)ethyl]oxolan-3-yl]methanamine
CID 65393225
1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine
CID 63062447
1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide
CID 60946127
N-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63821333

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine (CID 65020410) is 1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine is NC1(CCc2ccccc2[N+](=O)[O-])CCCC1.
What is the InChIKey of 1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine?
The InChIKey is JWCOIKYCYLPDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-13(8-3-4-9-13)10-7-11-5-1-2-6-12(11)15(16)17/h1-2,5-6H,3-4,7-10,14H2.
What are the key properties of 1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine?
1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine has a molecular weight of 234.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 65020410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).