1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid

C15H29N3O3 — CID 61191866

IUPAC1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCN(CC)CCCNC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H29N3O3/c1-3-18(4-2)12-8-11-16-14(21)17-15(13(19)20)9-6-5-7-10-15/h3-12H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyDNCSAGWFXPJVHK-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.80
Rot. Bonds8

About 1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid

1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 61191866) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID61191866
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCN(CC)CCCNC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H29N3O3/c1-3-18(4-2)12-8-11-16-14(21)17-15(13(19)20)9-6-5-7-10-15/h3-12H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyDNCSAGWFXPJVHK-UHFFFAOYSA-N
XLogP1.80
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 61191866) is 1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid is CCN(CC)CCCNC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is DNCSAGWFXPJVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-3-18(4-2)12-8-11-16-14(21)17-15(13(19)20)9-6-5-7-10-15/h3-12H2,1-2H3,(H,19,20)(H2,16,17,21).
What are the key properties of 1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid?
1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 299.41 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61191866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).