4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid

C14H25NO3 — CID 55148435

IUPAC4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(N(C)C2CCOCC2)C1
InChIInChI=1S/C14H25NO3/c1-10-3-4-12(14(16)17)13(9-10)15(2)11-5-7-18-8-6-11/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyVYPCJYLTAOKSDW-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.99
Rot. Bonds3

About 4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid

4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 55148435) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID55148435
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(N(C)C2CCOCC2)C1
InChIInChI=1S/C14H25NO3/c1-10-3-4-12(14(16)17)13(9-10)15(2)11-5-7-18-8-6-11/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyVYPCJYLTAOKSDW-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 63705687
4-tert-butyl-2-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylic acid
CID 82754923
2-[cycloheptyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 80996383
2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid
CID 63069511
4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid
CID 63068114
2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63068292
2-[butyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63068922
2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 82732714
2-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115221620
4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid
CID 66267283
(1R,2S,4R)-4-methylcyclohexane-1,2-dicarboxylic acid
CID 92643804
2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 63067550

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid (CID 55148435) is 4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)C(N(C)C2CCOCC2)C1.
What is the InChIKey of 4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VYPCJYLTAOKSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-3-4-12(14(16)17)13(9-10)15(2)11-5-7-18-8-6-11/h10-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid?
4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55148435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).