1-[5-(2,2-dimethylcyclohexyl)-1,3-oxazol-2-yl]-N-methylethanamine

C14H24N2O — CID 107185110

IUPAC1-[5-(2,2-dimethylcyclohexyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(C2CCCCC2(C)C)o1
InChIInChI=1S/C14H24N2O/c1-10(15-4)13-16-9-12(17-13)11-7-5-6-8-14(11,2)3/h9-11,15H,5-8H2,1-4H3
InChIKeyDSGZOKNPSWHDJY-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.64
Rot. Bonds3

About 1-[5-(2,2-dimethylcyclohexyl)-1,3-oxazol-2-yl]-N-methylethanamine

1-[5-(2,2-dimethylcyclohexyl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 107185110) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylcyclohexyl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(2,2-dimethylcyclohexyl)-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID107185110
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[5-(2,2-dimethylcyclohexyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(C2CCCCC2(C)C)o1
InChIInChI=1S/C14H24N2O/c1-10(15-4)13-16-9-12(17-13)11-7-5-6-8-14(11,2)3/h9-11,15H,5-8H2,1-4H3
InChIKeyDSGZOKNPSWHDJY-UHFFFAOYSA-N
XLogP3.64
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethylcyclohexyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(2,2-dimethylcyclohexyl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 107185110) is 1-[5-(2,2-dimethylcyclohexyl)-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(2,2-dimethylcyclohexyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(2,2-dimethylcyclohexyl)-1,3-oxazol-2-yl]-N-methylethanamine is CNC(C)c1ncc(C2CCCCC2(C)C)o1.
What is the InChIKey of 1-[5-(2,2-dimethylcyclohexyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is DSGZOKNPSWHDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(15-4)13-16-9-12(17-13)11-7-5-6-8-14(11,2)3/h9-11,15H,5-8H2,1-4H3.
What are the key properties of 1-[5-(2,2-dimethylcyclohexyl)-1,3-oxazol-2-yl]-N-methylethanamine?
1-[5-(2,2-dimethylcyclohexyl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 236.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethylcyclohexyl)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 107185110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).