6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid

C13H29N3O2 — CID 112745824

IUPAC6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid
SMILESCCN(C(C)CN(C)C)C(CCCCN)C(=O)O
InChIInChI=1S/C13H29N3O2/c1-5-16(11(2)10-15(3)4)12(13(17)18)8-6-7-9-14/h11-12H,5-10,14H2,1-4H3,(H,17,18)
InChIKeyIZJUOGJLEHBRJU-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.84
Rot. Bonds10

About 6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid

6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid (PubChem CID 112745824) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid
PubChem CID112745824
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid
SMILESCCN(C(C)CN(C)C)C(CCCCN)C(=O)O
InChIInChI=1S/C13H29N3O2/c1-5-16(11(2)10-15(3)4)12(13(17)18)8-6-7-9-14/h11-12H,5-10,14H2,1-4H3,(H,17,18)
InChIKeyIZJUOGJLEHBRJU-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-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid
CID 103189711
2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid
CID 103189748
(2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid
CID 149149504
(2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid
CID 150108342
(2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid
CID 150390621
(2S)-6-amino-2-[(2-deuterioacetyl)-methylamino]hexanoic acid
CID 153428240
ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate
CID 103189712
6-amino-2-(diiodoamino)hexanoic acid
CID 175237266
(2S)-6-amino-2-(dipentylamino)hexanoic acid
CID 57295047
2-[1-(dimethylamino)propan-2-yl-ethylamino]propanamide
CID 103190759
2-(dimethylamino)pentanoic acid;dodecan-1-amine
CID 172752605
(2R)-6-amino-2-methylhexanoic acid
CID 92976969

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid?
The IUPAC name of 6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid (CID 112745824) is 6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid.
What is the SMILES notation for 6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid?
The canonical SMILES for 6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid is CCN(C(C)CN(C)C)C(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid?
The InChIKey is IZJUOGJLEHBRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-5-16(11(2)10-15(3)4)12(13(17)18)8-6-7-9-14/h11-12H,5-10,14H2,1-4H3,(H,17,18).
What are the key properties of 6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid?
6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic 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 6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid is sourced from PubChem (CID 112745824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).