(2,4-dimethylcyclohexyl)methyl 2-(diethylamino)acetate

C15H29NO2 — CID 5112470

IUPAC(2,4-dimethylcyclohexyl)methyl 2-(diethylamino)acetate
SMILESCCN(CC)CC(=O)OCC1CCC(C)CC1C
InChIInChI=1S/C15H29NO2/c1-5-16(6-2)10-15(17)18-11-14-8-7-12(3)9-13(14)4/h12-14H,5-11H2,1-4H3
InChIKeyZCYCCCFXTSIPQS-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.94
Rot. Bonds6

About (2,4-dimethylcyclohexyl)methyl 2-(diethylamino)acetate

(2,4-dimethylcyclohexyl)methyl 2-(diethylamino)acetate (PubChem CID 5112470) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (2,4-dimethylcyclohexyl)methyl 2-(diethylamino)acetate.

Molecular Properties

Compound Name(2,4-dimethylcyclohexyl)methyl 2-(diethylamino)acetate
PubChem CID5112470
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(2,4-dimethylcyclohexyl)methyl 2-(diethylamino)acetate
SMILESCCN(CC)CC(=O)OCC1CCC(C)CC1C
InChIInChI=1S/C15H29NO2/c1-5-16(6-2)10-15(17)18-11-14-8-7-12(3)9-13(14)4/h12-14H,5-11H2,1-4H3
InChIKeyZCYCCCFXTSIPQS-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R,4S)-2,4-dimethylcyclohexyl]methyl acetate
CID 7367089
[(1R,2R,4R)-2,4-dimethylcyclohexyl]methyl 2-pyrrolidin-1-ium-1-ylacetate
CID 7407686
[(1R,2R,4S)-2,4-dimethylcyclohexyl]methyl 2-(1-methylpiperidin-1-ium-1-yl)acetate
CID 7123650
2-(2,4-dimethylcyclohexyl)acetic acid
CID 64774330
(2-methylcyclopropyl)methyl 2-(butanoylamino)acetate
CID 71878693
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methyl 2-aminoacetate
CID 153428354
(2,4-dimethylcyclohexyl) propanoate
CID 129231866
2-(diethylamino)ethaneperoxoic acid
CID 57104858
(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane
CID 91164443
2-amino-N-cyclopentyl-N-ethyl-5-methylcyclohexane-1-carboxamide
CID 65455288
2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide
CID 43374685
3-(2,4-dimethylcyclohexyl)-1,1-diethylurea
CID 115625378

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylcyclohexyl)methyl 2-(diethylamino)acetate?
The IUPAC name of (2,4-dimethylcyclohexyl)methyl 2-(diethylamino)acetate (CID 5112470) is (2,4-dimethylcyclohexyl)methyl 2-(diethylamino)acetate.
What is the SMILES notation for (2,4-dimethylcyclohexyl)methyl 2-(diethylamino)acetate?
The canonical SMILES for (2,4-dimethylcyclohexyl)methyl 2-(diethylamino)acetate is CCN(CC)CC(=O)OCC1CCC(C)CC1C.
What is the InChIKey of (2,4-dimethylcyclohexyl)methyl 2-(diethylamino)acetate?
The InChIKey is ZCYCCCFXTSIPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-16(6-2)10-15(17)18-11-14-8-7-12(3)9-13(14)4/h12-14H,5-11H2,1-4H3.
What are the key properties of (2,4-dimethylcyclohexyl)methyl 2-(diethylamino)acetate?
(2,4-dimethylcyclohexyl)methyl 2-(diethylamino)acetate has a molecular weight of 255.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylcyclohexyl)methyl 2-(diethylamino)acetate is sourced from PubChem (CID 5112470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).