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

C12H27N3O2 — CID 63699969

IUPAC2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid
SMILESCN(C)CCN(C)CCCCC(C)(N)C(=O)O
InChIInChI=1S/C12H27N3O2/c1-12(13,11(16)17)7-5-6-8-15(4)10-9-14(2)3/h5-10,13H2,1-4H3,(H,16,17)
InChIKeyYTHUHMVRYBTLJK-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.45
Rot. Bonds9

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

2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid (PubChem CID 63699969) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid.

Molecular Properties

Compound Name2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid
PubChem CID63699969
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid
SMILESCN(C)CCN(C)CCCCC(C)(N)C(=O)O
InChIInChI=1S/C12H27N3O2/c1-12(13,11(16)17)7-5-6-8-15(4)10-9-14(2)3/h5-10,13H2,1-4H3,(H,16,17)
InChIKeyYTHUHMVRYBTLJK-UHFFFAOYSA-N
XLogP0.45
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.45
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-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid
CID 63700666
2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide
CID 55226399
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoic acid
CID 65487093
2-amino-6-borono-2-[3-[2-(dimethylamino)ethyl-methylamino]propyl]hexanoic acid
CID 88551263
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
5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 63698579
5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 63698755
(2S)-2-amino-6-borono-2-methylhexanoic acid
CID 53249972
2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanamide
CID 81061565

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid?
The IUPAC name of 2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid (CID 63699969) is 2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid.
What is the SMILES notation for 2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid?
The canonical SMILES for 2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid is CN(C)CCN(C)CCCCC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid?
The InChIKey is YTHUHMVRYBTLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-12(13,11(16)17)7-5-6-8-15(4)10-9-14(2)3/h5-10,13H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid?
2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid has a molecular weight of 245.37 g/mol, XLogP of 0.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid is sourced from PubChem (CID 63699969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).