3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid

C15H29N3O3 — CID 63043352

IUPAC3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCN(C)CC(C)(C)CNC(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C15H29N3O3/c1-15(2,10-18(3)4)9-16-14(21)17-12-7-5-6-11(8-12)13(19)20/h11-12H,5-10H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyOLYYLNPDYOSNPB-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.52
Rot. Bonds6

About 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid

3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 63043352) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID63043352
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCN(C)CC(C)(C)CNC(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C15H29N3O3/c1-15(2,10-18(3)4)9-16-14(21)17-12-7-5-6-11(8-12)13(19)20/h11-12H,5-10H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyOLYYLNPDYOSNPB-UHFFFAOYSA-N
XLogP1.52
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 103463198
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63790124
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463220
3-[4-(dimethylamino)butylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63044112
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106330490
1-cyclobutyl-3-(2,2-dimethylbutyl)urea
CID 103461025
3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55175732
3-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106039169
3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043004
3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032016

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 63043352) is 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid is CN(C)CC(C)(C)CNC(=O)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is OLYYLNPDYOSNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,10-18(3)4)9-16-14(21)17-12-7-5-6-11(8-12)13(19)20/h11-12H,5-10H2,1-4H3,(H,19,20)(H2,16,17,21).
What are the key properties of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 299.41 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).