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

C15H27NO3 — CID 63712173

IUPAC1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(CC1CCOCC1)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H27NO3/c1-16(11-13-5-9-19-10-6-13)12-15(14(17)18)7-3-2-4-8-15/h13H,2-12H2,1H3,(H,17,18)
InChIKeyDDWAMGQLMWNEDR-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.38
Rot. Bonds5

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

1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 63712173) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID63712173
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(CC1CCOCC1)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H27NO3/c1-16(11-13-5-9-19-10-6-13)12-15(14(17)18)7-3-2-4-8-15/h13H,2-12H2,1H3,(H,17,18)
InChIKeyDDWAMGQLMWNEDR-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 63711312
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246585
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 65006542
methyl 3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxetane-3-carboxylate
CID 115248715
1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79313273
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid
CID 115248494
1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 23088714
1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 55055794
1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 55056603
4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid
CID 62390479
1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246423
1-[(oxan-4-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436924

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 63712173) is 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid is CN(CC1CCOCC1)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is DDWAMGQLMWNEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-16(11-13-5-9-19-10-6-13)12-15(14(17)18)7-3-2-4-8-15/h13H,2-12H2,1H3,(H,17,18).
What are the key properties of 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63712173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).