2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine

C12H25NO — CID 64751781

IUPAC2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1OCC
InChIInChI=1S/C12H25NO/c1-5-13-11-8-9(3)7-10(4)12(11)14-6-2/h9-13H,5-8H2,1-4H3
InChIKeySHRXKSXCRSQWFD-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds4

About 2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine

2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine (PubChem CID 64751781) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
PubChem CID64751781
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1OCC
InChIInChI=1S/C12H25NO/c1-5-13-11-8-9(3)7-10(4)12(11)14-6-2/h9-13H,5-8H2,1-4H3
InChIKeySHRXKSXCRSQWFD-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine
CID 64753175
2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 66234496
N-ethyl-2-hexoxy-3,5-dimethylcyclohexan-1-amine
CID 64752582
N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine
CID 64751794
2-cyclobutyloxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64752392
N-ethyl-3,5-dimethyl-2-(oxetan-3-yloxy)cyclohexan-1-amine
CID 102606113
N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,5-dimethylcyclohexan-1-amine
CID 102721859
2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752974
2-(2-cyclopropylethoxy)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 106200648
N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 64734674
2-(cyclohexylmethoxy)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64753382
2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine
CID 104676190

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine (CID 64751781) is 2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine is CCNC1CC(C)CC(C)C1OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The InChIKey is SHRXKSXCRSQWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-13-11-8-9(3)7-10(4)12(11)14-6-2/h9-13H,5-8H2,1-4H3.
What are the key properties of 2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine?
2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64751781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).