4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

C15H28N2O3 — CID 63782296

IUPAC4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)C(CN(C)C)NC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-10(2)13(9-17(3)4)16-14(18)11-5-7-12(8-6-11)15(19)20/h10-13H,5-9H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyBJTMZDZJNJRAAR-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.58
Rot. Bonds6

About 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63782296) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63782296
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)C(CN(C)C)NC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-10(2)13(9-17(3)4)16-14(18)11-5-7-12(8-6-11)15(19)20/h10-13H,5-9H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyBJTMZDZJNJRAAR-UHFFFAOYSA-N
XLogP1.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid (CID 63782296) is 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid is CC(C)C(CN(C)C)NC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is BJTMZDZJNJRAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)13(9-17(3)4)16-14(18)11-5-7-12(8-6-11)15(19)20/h10-13H,5-9H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63782296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).