6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid

C12H25N3O3 — CID 82937405

IUPAC6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid
SMILESCC(CN(C)C)NC(=O)NCCCCCC(=O)O
InChIInChI=1S/C12H25N3O3/c1-10(9-15(2)3)14-12(18)13-8-6-4-5-7-11(16)17/h10H,4-9H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeyASAFFQMKVKDLEZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.88
Rot. Bonds9

About 6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid

6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid (PubChem CID 82937405) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid
PubChem CID82937405
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid
SMILESCC(CN(C)C)NC(=O)NCCCCCC(=O)O
InChIInChI=1S/C12H25N3O3/c1-10(9-15(2)3)14-12(18)13-8-6-4-5-7-11(16)17/h10H,4-9H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeyASAFFQMKVKDLEZ-UHFFFAOYSA-N
XLogP0.88
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

7-(4-methylsulfanylbutan-2-ylcarbamoylamino)heptanoic acid
CID 113477968
(2R)-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanedioic acid
CID 107840772
4-(pentan-2-ylcarbamoylamino)butanoic acid
CID 61181859
6-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]hexanoic acid
CID 62636535
6-(1-cyclopropylethylcarbamoylamino)hexanoic acid
CID 61197551
7-(3-ethylpentan-2-ylcarbamoylamino)heptanoic acid
CID 63842379
5-(5-methoxypentylcarbamoylamino)hexanoic acid
CID 114131677
4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 82937494
4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 82937416
6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid
CID 61196248
6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid
CID 62338164
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 82938494

Frequently Asked Questions

What is the IUPAC name of 6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid?
The IUPAC name of 6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid (CID 82937405) is 6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid?
The canonical SMILES for 6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid is CC(CN(C)C)NC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid?
The InChIKey is ASAFFQMKVKDLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-10(9-15(2)3)14-12(18)13-8-6-4-5-7-11(16)17/h10H,4-9H2,1-3H3,(H,16,17)(H2,13,14,18).
What are the key properties of 6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid?
6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid has a molecular weight of 259.35 g/mol, XLogP of 0.88, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 82937405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).