N-cyclohexyl-4-ethylperoxycyclohexan-1-amine

C14H27NO2 — CID 87417014

IUPACN-cyclohexyl-4-ethylperoxycyclohexan-1-amine
SMILESCCOOC1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C14H27NO2/c1-2-16-17-14-10-8-13(9-11-14)15-12-6-4-3-5-7-12/h12-15H,2-11H2,1H3
InChIKeyLPDRYAPYFNRPQJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.19
Rot. Bonds5

About N-cyclohexyl-4-ethylperoxycyclohexan-1-amine

N-cyclohexyl-4-ethylperoxycyclohexan-1-amine (PubChem CID 87417014) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-cyclohexyl-4-ethylperoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-ethylperoxycyclohexan-1-amine
PubChem CID87417014
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-cyclohexyl-4-ethylperoxycyclohexan-1-amine
SMILESCCOOC1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C14H27NO2/c1-2-16-17-14-10-8-13(9-11-14)15-12-6-4-3-5-7-12/h12-15H,2-11H2,1H3
InChIKeyLPDRYAPYFNRPQJ-UHFFFAOYSA-N
XLogP3.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.19
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

ethylperoxycyclopropane
CID 142258927
N-cyclohexyl-4-propoxycyclohexan-1-amine;hydrochloride
CID 165430954
N-cyclopropylcyclododecanamine
CID 16776852
N-cyclohexylcyclohexanamine;ethane
CID 67925930
N,4-dicyclohexylcyclohexan-1-amine
CID 70368908
ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
CID 54867024
ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate
CID 60934314
4-N-cyclohexyl-1-N-propylcyclohexane-1,4-diamine
CID 82934190
N-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine
CID 118983920
N-cyclohexyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 67483352
N-cyclohexylcyclohexanamine;hexan-1-amine
CID 158809778
N-cyclopentyl-4-methylcyclohexan-1-amine;hydrobromide
CID 75531499

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-ethylperoxycyclohexan-1-amine?
The IUPAC name of N-cyclohexyl-4-ethylperoxycyclohexan-1-amine (CID 87417014) is N-cyclohexyl-4-ethylperoxycyclohexan-1-amine.
What is the SMILES notation for N-cyclohexyl-4-ethylperoxycyclohexan-1-amine?
The canonical SMILES for N-cyclohexyl-4-ethylperoxycyclohexan-1-amine is CCOOC1CCC(NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-ethylperoxycyclohexan-1-amine?
The InChIKey is LPDRYAPYFNRPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-16-17-14-10-8-13(9-11-14)15-12-6-4-3-5-7-12/h12-15H,2-11H2,1H3.
What are the key properties of N-cyclohexyl-4-ethylperoxycyclohexan-1-amine?
N-cyclohexyl-4-ethylperoxycyclohexan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-ethylperoxycyclohexan-1-amine is sourced from PubChem (CID 87417014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).