6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid

C15H31N3O3 — CID 65289219

IUPAC6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid
SMILESCN(C)CCCN(C)C(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C15H31N3O3/c1-15(2,8-7-13(19)20)9-10-16-14(21)18(5)12-6-11-17(3)4/h6-12H2,1-5H3,(H,16,21)(H,19,20)
InChIKeyADZBXXQGBXAZNK-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.86
Rot. Bonds10

About 6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid

6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid (PubChem CID 65289219) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is 6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid
PubChem CID65289219
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Name6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid
SMILESCN(C)CCCN(C)C(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C15H31N3O3/c1-15(2,8-7-13(19)20)9-10-16-14(21)18(5)12-6-11-17(3)4/h6-12H2,1-5H3,(H,16,21)(H,19,20)
InChIKeyADZBXXQGBXAZNK-UHFFFAOYSA-N
XLogP1.86
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic 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

4,4-dimethyl-6-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]hexanoic acid
CID 65289121
6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287485
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 55228127
6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287610
3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176598
6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287303
6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65289831
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 63700596
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541128
6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid
CID 65287278
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 65286271

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid (CID 65289219) is 6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid is CN(C)CCCN(C)C(=O)NCCC(C)(C)CCC(=O)O.
What is the InChIKey of 6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid?
The InChIKey is ADZBXXQGBXAZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-15(2,8-7-13(19)20)9-10-16-14(21)18(5)12-6-11-17(3)4/h6-12H2,1-5H3,(H,16,21)(H,19,20).
What are the key properties of 6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid?
6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid has a molecular weight of 301.43 g/mol, XLogP of 1.86, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65289219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).