N-ethyl-3,5-dimethyl-2-(oxetan-3-yloxy)cyclohexan-1-amine

C13H25NO2 — CID 102606113

IUPACN-ethyl-3,5-dimethyl-2-(oxetan-3-yloxy)cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1OC1COC1
InChIInChI=1S/C13H25NO2/c1-4-14-12-6-9(2)5-10(3)13(12)16-11-7-15-8-11/h9-14H,4-8H2,1-3H3
InChIKeyZLIMCEGZCMRVAQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.81
Rot. Bonds4

About N-ethyl-3,5-dimethyl-2-(oxetan-3-yloxy)cyclohexan-1-amine

N-ethyl-3,5-dimethyl-2-(oxetan-3-yloxy)cyclohexan-1-amine (PubChem CID 102606113) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-(oxetan-3-yloxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-(oxetan-3-yloxy)cyclohexan-1-amine
PubChem CID102606113
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-ethyl-3,5-dimethyl-2-(oxetan-3-yloxy)cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1OC1COC1
InChIInChI=1S/C13H25NO2/c1-4-14-12-6-9(2)5-10(3)13(12)16-11-7-15-8-11/h9-14H,4-8H2,1-3H3
InChIKeyZLIMCEGZCMRVAQ-UHFFFAOYSA-N
XLogP1.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyloxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64752392
2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64751781
N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine
CID 64753175
N-ethyl-2-hexoxy-3,5-dimethylcyclohexan-1-amine
CID 64752582
2-cyclobutyloxy-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752391
2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 66234496
N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,5-dimethylcyclohexan-1-amine
CID 102721859
N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine
CID 64751794
N-ethyl-2-(4-methoxypiperidin-1-yl)-3,5-dimethylcyclohexan-1-amine
CID 64722404
2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752974
N,3,5-trimethyl-2-(3-methylcyclohexyl)oxycyclohexan-1-amine
CID 64753172
N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64751898

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-(oxetan-3-yloxy)cyclohexan-1-amine?
The IUPAC name of N-ethyl-3,5-dimethyl-2-(oxetan-3-yloxy)cyclohexan-1-amine (CID 102606113) is N-ethyl-3,5-dimethyl-2-(oxetan-3-yloxy)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-(oxetan-3-yloxy)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-(oxetan-3-yloxy)cyclohexan-1-amine is CCNC1CC(C)CC(C)C1OC1COC1.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-(oxetan-3-yloxy)cyclohexan-1-amine?
The InChIKey is ZLIMCEGZCMRVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-14-12-6-9(2)5-10(3)13(12)16-11-7-15-8-11/h9-14H,4-8H2,1-3H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-(oxetan-3-yloxy)cyclohexan-1-amine?
N-ethyl-3,5-dimethyl-2-(oxetan-3-yloxy)cyclohexan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-(oxetan-3-yloxy)cyclohexan-1-amine is sourced from PubChem (CID 102606113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).