N-tert-butylperoxycyclohexanamine

C10H21NO2 — CID 154325108

IUPACN-tert-butylperoxycyclohexanamine
SMILESCC(C)(C)OONC1CCCCC1
InChIInChI=1S/C10H21NO2/c1-10(2,3)12-13-11-9-7-5-4-6-8-9/h9,11H,4-8H2,1-3H3
InChIKeyYUIKLEBFJPLIKY-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.57
Rot. Bonds3

About N-tert-butylperoxycyclohexanamine

N-tert-butylperoxycyclohexanamine (PubChem CID 154325108) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-tert-butylperoxycyclohexanamine.

Molecular Properties

Compound NameN-tert-butylperoxycyclohexanamine
PubChem CID154325108
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-tert-butylperoxycyclohexanamine
SMILESCC(C)(C)OONC1CCCCC1
InChIInChI=1S/C10H21NO2/c1-10(2,3)12-13-11-9-7-5-4-6-8-9/h9,11H,4-8H2,1-3H3
InChIKeyYUIKLEBFJPLIKY-UHFFFAOYSA-N
XLogP2.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxycyclohexanamine
CID 10975508
(cyclohexylamino) 2,2-dimethylpropanoate;hydrate
CID 174795169
N-(2,3,3-trimethylbutan-2-yl)cyclopentanamine
CID 58297120
N-methylcyclohexanamine
CID 7514
N-methylcyclotetradecanamine
CID 59468246
N-(methoxymethoxy)cyclohexanamine
CID 87845817
1-tert-butyl-2-cycloheptylhydrazine
CID 126515536
N-tert-butylcyclobutanamine;N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butylcyclopropanamine
CID 158164936
N-(2-fluoropropan-2-yl)cyclohexanamine
CID 145320025
N-(tert-butylperoxymethyl)-N-methylcyclohexanamine
CID 548264
N-(2-methoxyethoxy)cyclohexanamine
CID 82712676
tert-butyl N-(cyclododecylamino)carbamate
CID 107236860

Frequently Asked Questions

What is the IUPAC name of N-tert-butylperoxycyclohexanamine?
The IUPAC name of N-tert-butylperoxycyclohexanamine (CID 154325108) is N-tert-butylperoxycyclohexanamine.
What is the SMILES notation for N-tert-butylperoxycyclohexanamine?
The canonical SMILES for N-tert-butylperoxycyclohexanamine is CC(C)(C)OONC1CCCCC1.
What is the InChIKey of N-tert-butylperoxycyclohexanamine?
The InChIKey is YUIKLEBFJPLIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,3)12-13-11-9-7-5-4-6-8-9/h9,11H,4-8H2,1-3H3.
What are the key properties of N-tert-butylperoxycyclohexanamine?
N-tert-butylperoxycyclohexanamine has a molecular weight of 187.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylperoxycyclohexanamine is sourced from PubChem (CID 154325108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).