N-[(4-cyclopentylphenyl)methyl]hydroxylamine

C12H17NO — CID 117282542

IUPACN-[(4-cyclopentylphenyl)methyl]hydroxylamine
SMILESONCc1ccc(C2CCCC2)cc1
InChIInChI=1S/C12H17NO/c14-13-9-10-5-7-12(8-6-10)11-3-1-2-4-11/h5-8,11,13-14H,1-4,9H2
InChIKeyIGBVQJCGBAHBHC-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.82
Rot. Bonds3

About N-[(4-cyclopentylphenyl)methyl]hydroxylamine

N-[(4-cyclopentylphenyl)methyl]hydroxylamine (PubChem CID 117282542) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[(4-cyclopentylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4-cyclopentylphenyl)methyl]hydroxylamine
PubChem CID117282542
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[(4-cyclopentylphenyl)methyl]hydroxylamine
SMILESONCc1ccc(C2CCCC2)cc1
InChIInChI=1S/C12H17NO/c14-13-9-10-5-7-12(8-6-10)11-3-1-2-4-11/h5-8,11,13-14H,1-4,9H2
InChIKeyIGBVQJCGBAHBHC-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-cyclopentylphenyl)methyl]acetamide
CID 66695215
1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
CID 79978986
(4-cyclohexylphenyl)-dideuteriomethanol
CID 162410552
(4-cyclohexylphenyl)methanamine
CID 22246867
N-[(4-cyclohexyl-3-fluorophenyl)methyl]hydroxylamine
CID 117320222
1-[(4-cyclohexylphenyl)methyl]-3-methylurea
CID 115169108
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 122039059
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
2-(4-cyclohexylphenyl)-1-(methylamino)ethanol
CID 175264213

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(4-cyclopentylphenyl)methyl]hydroxylamine (CID 117282542) is N-[(4-cyclopentylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4-cyclopentylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(4-cyclopentylphenyl)methyl]hydroxylamine is ONCc1ccc(C2CCCC2)cc1.
What is the InChIKey of N-[(4-cyclopentylphenyl)methyl]hydroxylamine?
The InChIKey is IGBVQJCGBAHBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-13-9-10-5-7-12(8-6-10)11-3-1-2-4-11/h5-8,11,13-14H,1-4,9H2.
What are the key properties of N-[(4-cyclopentylphenyl)methyl]hydroxylamine?
N-[(4-cyclopentylphenyl)methyl]hydroxylamine has a molecular weight of 191.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117282542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).