(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate

C15H29NO2 — CID 62822105

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate
SMILESCNC(C)(C)C(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H29NO2/c1-10(2)12-8-7-11(3)9-13(12)18-14(17)15(4,5)16-6/h10-13,16H,7-9H2,1-6H3
InChIKeyYMBDLDSOOFMSKS-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.99
Rot. Bonds4

About (5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate

(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate (PubChem CID 62822105) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate
PubChem CID62822105
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate
SMILESCNC(C)(C)C(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H29NO2/c1-10(2)12-8-7-11(3)9-13(12)18-14(17)15(4,5)16-6/h10-13,16H,7-9H2,1-6H3
InChIKeyYMBDLDSOOFMSKS-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dimethylpropanoate
CID 12738090
[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-bromo-2-methylpropanoate
CID 172643840
[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2,2,2-trifluoroacetate
CID 26791163
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxy-2-methylbutanoate
CID 10999687
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,4,4,4-tetrachloro-2-methylbutanoate
CID 11036220
bis[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] but-2-ynedioate
CID 11868487
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-acetyl-2-methylpentanoate
CID 124768239
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
CID 13308514
(5-methyl-2-propan-2-ylcyclohexyl) 2-(methylamino)-2-oxoacetate
CID 25196073
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,3R)-2,3-bis(tert-butylamino)butanedioate
CID 101239741
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138995

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate (CID 62822105) is (5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate is CNC(C)(C)C(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate?
The InChIKey is YMBDLDSOOFMSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-10(2)12-8-7-11(3)9-13(12)18-14(17)15(4,5)16-6/h10-13,16H,7-9H2,1-6H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate?
(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate has a molecular weight of 255.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate is sourced from PubChem (CID 62822105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).