2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid

C13H29N3O2 — CID 63700666

IUPAC2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid
SMILESCN(C)CCCN(C)CCCCC(C)(N)C(=O)O
InChIInChI=1S/C13H29N3O2/c1-13(14,12(17)18)8-5-6-10-16(4)11-7-9-15(2)3/h5-11,14H2,1-4H3,(H,17,18)
InChIKeyGNUUXZZYFOSXBE-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.84
Rot. Bonds10

About 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid

2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid (PubChem CID 63700666) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid.

Molecular Properties

Compound Name2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid
PubChem CID63700666
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid
SMILESCN(C)CCCN(C)CCCCC(C)(N)C(=O)O
InChIInChI=1S/C13H29N3O2/c1-13(14,12(17)18)8-5-6-10-16(4)11-7-9-15(2)3/h5-11,14H2,1-4H3,(H,17,18)
InChIKeyGNUUXZZYFOSXBE-UHFFFAOYSA-N
XLogP0.84
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid
CID 63699969
2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide
CID 55226399
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
ethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate
CID 63700322
2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoic acid
CID 65487093
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
2,6-diamino-2-methylhexanoic acid
CID 3017540
2,8-diamino-2-methyloctanoic acid
CID 87814639
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylbutane-1,4-diamine;trihydrochloride
CID 131875706
(2S)-2-amino-6-borono-2-methylhexanoic acid
CID 53249972
2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanamide
CID 81061565
2-amino-6-borono-2-[3-[2-(dimethylamino)ethyl-methylamino]propyl]hexanoic acid
CID 88551263

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid?
The IUPAC name of 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid (CID 63700666) is 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid.
What is the SMILES notation for 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid?
The canonical SMILES for 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid is CN(C)CCCN(C)CCCCC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid?
The InChIKey is GNUUXZZYFOSXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-13(14,12(17)18)8-5-6-10-16(4)11-7-9-15(2)3/h5-11,14H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid?
2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid has a molecular weight of 259.39 g/mol, XLogP of 0.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid is sourced from PubChem (CID 63700666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).