2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid

C13H25NO2 — CID 65236938

IUPAC2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid
SMILESCNC1(CC(=O)O)CC(C)CCC1C(C)C
InChIInChI=1S/C13H25NO2/c1-9(2)11-6-5-10(3)7-13(11,14-4)8-12(15)16/h9-11,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyHYFYPZQSVDENNB-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.51
Rot. Bonds4

About 2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid

2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid (PubChem CID 65236938) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid
PubChem CID65236938
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid
SMILESCNC1(CC(=O)O)CC(C)CCC1C(C)C
InChIInChI=1S/C13H25NO2/c1-9(2)11-6-5-10(3)7-13(11,14-4)8-12(15)16/h9-11,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyHYFYPZQSVDENNB-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexyl]acetamide
CID 65233567
[1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 61048406
[1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 62543978
N-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 141209786
[5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61044735
1-(2-amino-2-oxoethyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 66599643
1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 55027769
2-[(5-methyl-1-phosphono-2-propan-2-ylcyclohexyl)amino]acetic acid
CID 54150892
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
1-(1-hydroxyethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 57200441
1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone
CID 142684025
N-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 163406245

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid?
The IUPAC name of 2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid (CID 65236938) is 2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid.
What is the SMILES notation for 2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid?
The canonical SMILES for 2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid is CNC1(CC(=O)O)CC(C)CCC1C(C)C.
What is the InChIKey of 2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid?
The InChIKey is HYFYPZQSVDENNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9(2)11-6-5-10(3)7-13(11,14-4)8-12(15)16/h9-11,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid?
2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid has a molecular weight of 227.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid is sourced from PubChem (CID 65236938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).