cyclohexane;N,N-dimethylmethanamine;ethyl acetate

C13H29NO2 — CID 166691993

IUPACcyclohexane;N,N-dimethylmethanamine;ethyl acetate
SMILESC1CCCCC1.CCOC(C)=O.CN(C)C
InChIInChI=1S/C6H12.C4H8O2.C3H9N/c1-2-4-6-5-3-1;1-3-6-4(2)5;1-4(2)3/h1-6H2;3H2,1-2H3;1-3H3
InChIKeyASGQIGYXLPRNAM-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.09
Rot. Bonds1

About cyclohexane;N,N-dimethylmethanamine;ethyl acetate

cyclohexane;N,N-dimethylmethanamine;ethyl acetate (PubChem CID 166691993) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is cyclohexane;N,N-dimethylmethanamine;ethyl acetate.

Molecular Properties

Compound Namecyclohexane;N,N-dimethylmethanamine;ethyl acetate
PubChem CID166691993
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Namecyclohexane;N,N-dimethylmethanamine;ethyl acetate
SMILESC1CCCCC1.CCOC(C)=O.CN(C)C
InChIInChI=1S/C6H12.C4H8O2.C3H9N/c1-2-4-6-5-3-1;1-3-6-4(2)5;1-4(2)3/h1-6H2;3H2,1-2H3;1-3H3
InChIKeyASGQIGYXLPRNAM-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;N,N-dimethylmethanamine;ethyl acetate?
The IUPAC name of cyclohexane;N,N-dimethylmethanamine;ethyl acetate (CID 166691993) is cyclohexane;N,N-dimethylmethanamine;ethyl acetate.
What is the SMILES notation for cyclohexane;N,N-dimethylmethanamine;ethyl acetate?
The canonical SMILES for cyclohexane;N,N-dimethylmethanamine;ethyl acetate is C1CCCCC1.CCOC(C)=O.CN(C)C.
What is the InChIKey of cyclohexane;N,N-dimethylmethanamine;ethyl acetate?
The InChIKey is ASGQIGYXLPRNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H8O2.C3H9N/c1-2-4-6-5-3-1;1-3-6-4(2)5;1-4(2)3/h1-6H2;3H2,1-2H3;1-3H3.
What are the key properties of cyclohexane;N,N-dimethylmethanamine;ethyl acetate?
cyclohexane;N,N-dimethylmethanamine;ethyl acetate has a molecular weight of 231.38 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;N,N-dimethylmethanamine;ethyl acetate is sourced from PubChem (CID 166691993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).