4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid

C15H27NO3 — CID 82744106

IUPAC4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(CN(C)C2CCOC2C)(C(=O)O)CC1
InChIInChI=1S/C15H27NO3/c1-11-4-7-15(8-5-11,14(17)18)10-16(3)13-6-9-19-12(13)2/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyDRBIPEZHVGBQEW-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.38
Rot. Bonds4

About 4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid

4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 82744106) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID82744106
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(CN(C)C2CCOC2C)(C(=O)O)CC1
InChIInChI=1S/C15H27NO3/c1-11-4-7-15(8-5-11,14(17)18)10-16(3)13-6-9-19-12(13)2/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyDRBIPEZHVGBQEW-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

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine
CID 82740458
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115440844
4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine
CID 82740558
4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid
CID 62390479
[1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclobutyl]methanethiol
CID 82744847
[1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol
CID 82745987
3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82749509
3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one
CID 82742069
2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82743553
N,2-dimethyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxolan-3-amine
CID 82744009
3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid
CID 55242439

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid (CID 82744106) is 4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid is CC1CCC(CN(C)C2CCOC2C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is DRBIPEZHVGBQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11-4-7-15(8-5-11,14(17)18)10-16(3)13-6-9-19-12(13)2/h11-13H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid?
4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-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 4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82744106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).