1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid

C14H27N3O3 — CID 61187593

IUPAC1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)NCCN(C)C)(C(=O)O)CC1
InChIInChI=1S/C14H27N3O3/c1-4-11-5-7-14(8-6-11,12(18)19)16-13(20)15-9-10-17(2)3/h11H,4-10H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyQFBLMACWRRCDSX-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.27
Rot. Bonds6

About 1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid

1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid (PubChem CID 61187593) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
PubChem CID61187593
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)NCCN(C)C)(C(=O)O)CC1
InChIInChI=1S/C14H27N3O3/c1-4-11-5-7-14(8-6-11,12(18)19)16-13(20)15-9-10-17(2)3/h11H,4-10H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyQFBLMACWRRCDSX-UHFFFAOYSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(carbamoylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 83113849
4-ethyl-1-(2-methylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 60710261
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 62635853
4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61186572
1-[[butan-2-yl(methyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61196629
1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61195802
4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61403150
4-ethyl-1-(4-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61197269
4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61188086
3-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892666
1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid
CID 61001659

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid (CID 61187593) is 1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)NCCN(C)C)(C(=O)O)CC1.
What is the InChIKey of 1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid?
The InChIKey is QFBLMACWRRCDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-11-5-7-14(8-6-11,12(18)19)16-13(20)15-9-10-17(2)3/h11H,4-10H2,1-3H3,(H,18,19)(H2,15,16,20).
What are the key properties of 1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid?
1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid has a molecular weight of 285.39 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61187593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).