N-(1-hydroperoxypentyl)cyclohexanamine

C11H23NO2 — CID 121218682

IUPACN-(1-hydroperoxypentyl)cyclohexanamine
SMILESCCCCC(NC1CCCCC1)OO
InChIInChI=1S/C11H23NO2/c1-2-3-9-11(14-13)12-10-7-5-4-6-8-10/h10-13H,2-9H2,1H3
InChIKeyFNQNSGPZCZSLLN-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.91
Rot. Bonds6

About N-(1-hydroperoxypentyl)cyclohexanamine

N-(1-hydroperoxypentyl)cyclohexanamine (PubChem CID 121218682) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(1-hydroperoxypentyl)cyclohexanamine.

Molecular Properties

Compound NameN-(1-hydroperoxypentyl)cyclohexanamine
PubChem CID121218682
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(1-hydroperoxypentyl)cyclohexanamine
SMILESCCCCC(NC1CCCCC1)OO
InChIInChI=1S/C11H23NO2/c1-2-3-9-11(14-13)12-10-7-5-4-6-8-10/h10-13H,2-9H2,1H3
InChIKeyFNQNSGPZCZSLLN-UHFFFAOYSA-N
XLogP2.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze N-(1-hydroperoxypentyl)cyclohexanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-heptan-2-ylcycloheptanamine
CID 43082272
N-(1-methoxyhexan-2-yl)cyclopentanamine
CID 115704960
N-nonan-2-ylcyclohexanamine
CID 43129679
1-N'-cycloheptylheptane-1,1-diamine
CID 135361664
N-octan-2-ylcyclohexanamine
CID 13244945
ethyl 2-(cyclohexylamino)nonanoate
CID 63524115
2-(cyclohexylamino)heptanoic acid
CID 60998800
N-decan-4-ylcyclohexanamine
CID 175237913
N-pentan-2-ylcyclooctanamine
CID 43079432
N-(2-methyldodecan-3-yl)cyclohexanamine
CID 150788922
methyl 2-(cyclopentylamino)nonanoate
CID 54894298
N-[2-(cyclohexylamino)dodecylidene]hydroxylamine
CID 3507266

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroperoxypentyl)cyclohexanamine?
The IUPAC name of N-(1-hydroperoxypentyl)cyclohexanamine (CID 121218682) is N-(1-hydroperoxypentyl)cyclohexanamine.
What is the SMILES notation for N-(1-hydroperoxypentyl)cyclohexanamine?
The canonical SMILES for N-(1-hydroperoxypentyl)cyclohexanamine is CCCCC(NC1CCCCC1)OO.
What is the InChIKey of N-(1-hydroperoxypentyl)cyclohexanamine?
The InChIKey is FNQNSGPZCZSLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-2-3-9-11(14-13)12-10-7-5-4-6-8-10/h10-13H,2-9H2,1H3.
What are the key properties of N-(1-hydroperoxypentyl)cyclohexanamine?
N-(1-hydroperoxypentyl)cyclohexanamine has a molecular weight of 201.31 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroperoxypentyl)cyclohexanamine is sourced from PubChem (CID 121218682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).