3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid

C15H27NO3 — CID 55242439

IUPAC3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid
SMILESCC1CCCC(N(C)CC2(C(=O)O)CCCOC2)C1
InChIInChI=1S/C15H27NO3/c1-12-5-3-6-13(9-12)16(2)10-15(14(17)18)7-4-8-19-11-15/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyUELUDPMAGLYTHR-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.38
Rot. Bonds4

About 3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid

3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid (PubChem CID 55242439) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid
PubChem CID55242439
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid
SMILESCC1CCCC(N(C)CC2(C(=O)O)CCCOC2)C1
InChIInChI=1S/C15H27NO3/c1-12-5-3-6-13(9-12)16(2)10-15(14(17)18)7-4-8-19-11-15/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyUELUDPMAGLYTHR-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic 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

3-[(dimethylamino)methyl]oxane-3-carboxylic acid
CID 63740353
1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 55056603
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]oxolane-3-carboxylic acid
CID 55056654
1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 61448226
4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid
CID 62390479
4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine
CID 115295410
3-[[3-(dimethylamino)propyl-methylamino]methyl]oxane-3-carboxylic acid
CID 55243604
3-[(3-methylpyrrolidin-1-yl)methyl]oxane-3-carboxylic acid
CID 63747250
N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62258330
3-[(3-methoxy-N-methylanilino)methyl]oxane-3-carboxylic acid
CID 63745893
3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxane-3-carboxylic acid
CID 63745371
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]oxane-3-carboxylic acid
CID 63745377

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid?
The IUPAC name of 3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid (CID 55242439) is 3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid.
What is the SMILES notation for 3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid?
The canonical SMILES for 3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid is CC1CCCC(N(C)CC2(C(=O)O)CCCOC2)C1.
What is the InChIKey of 3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid?
The InChIKey is UELUDPMAGLYTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12-5-3-6-13(9-12)16(2)10-15(14(17)18)7-4-8-19-11-15/h12-13H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid?
3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid is sourced from PubChem (CID 55242439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).