ethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane

C16H35NO2 — CID 156718776

IUPACethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane
SMILESCC.CC1CCCC(OC(=O)CN(C)C)C1.CCC
InChIInChI=1S/C11H21NO2.C3H8.C2H6/c1-9-5-4-6-10(7-9)14-11(13)8-12(2)3;1-3-2;1-2/h9-10H,4-8H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyQISRIOGJLUVDMO-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.11
Rot. Bonds3

About ethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane

ethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane (PubChem CID 156718776) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is ethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane.

Molecular Properties

Compound Nameethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane
PubChem CID156718776
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Nameethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane
SMILESCC.CC1CCCC(OC(=O)CN(C)C)C1.CCC
InChIInChI=1S/C11H21NO2.C3H8.C2H6/c1-9-5-4-6-10(7-9)14-11(13)8-12(2)3;1-3-2;1-2/h9-10H,4-8H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyQISRIOGJLUVDMO-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylcyclohexyl) 3-ethylsulfanylpropanoate
CID 78886265
(3-methylcyclohexyl) 2,3-dihydroxypropanoate;propane
CID 143971653
(3-methylcyclohexyl) 4-methylpentanoate
CID 123314054
(3-methylcyclohexyl) 2-piperidin-1-ylacetate
CID 156718773
(3-acetyloxycyclohexyl) propanoate;ethane
CID 142313832
(3-methylcyclohexyl) 2-phenoxyacetate
CID 78838655
(3-methylcyclohexyl) 2-aminopentanoate
CID 61302315
(3-methylcyclohexyl) 2-(4-chloroanilino)acetate
CID 61303304
(3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate
CID 80751175
cyclopentyl 3-(dimethylamino)propanoate
CID 143992011
(3-methylcyclohexyl) 2-methyl-2-(methylamino)propanoate
CID 62821410
(3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate
CID 115428214

Frequently Asked Questions

What is the IUPAC name of ethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane?
The IUPAC name of ethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane (CID 156718776) is ethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane.
What is the SMILES notation for ethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane?
The canonical SMILES for ethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane is CC.CC1CCCC(OC(=O)CN(C)C)C1.CCC.
What is the InChIKey of ethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane?
The InChIKey is QISRIOGJLUVDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.C3H8.C2H6/c1-9-5-4-6-10(7-9)14-11(13)8-12(2)3;1-3-2;1-2/h9-10H,4-8H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane?
ethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane has a molecular weight of 273.46 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane is sourced from PubChem (CID 156718776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).