1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

C15H28N2O3 — CID 60940390

IUPAC1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCN(C)C(C)(C)CNC(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H28N2O3/c1-14(2,17(3)4)11-16-12(18)10-15(13(19)20)8-6-5-7-9-15/h5-11H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyUOOYECJRCBKXBF-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.87
Rot. Bonds6

About 1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 60940390) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID60940390
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCN(C)C(C)(C)CNC(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H28N2O3/c1-14(2,17(3)4)11-16-12(18)10-15(13(19)20)8-6-5-7-9-15/h5-11H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyUOOYECJRCBKXBF-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,2-dimethylbutylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 103460264
1-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 65108421
2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide
CID 79854548
1-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106244318
1-[2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 104623085
1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830623
1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63861747
1-[2-[2-(dimethylamino)propylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 54913080
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62642132
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 62641943

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 60940390) is 1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is CN(C)C(C)(C)CNC(=O)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is UOOYECJRCBKXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2,17(3)4)11-16-12(18)10-15(13(19)20)8-6-5-7-9-15/h5-11H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60940390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).