6-amino-2-(ethylamino)hexanoic acid;dihydrochloride

C8H20Cl2N2O2 — CID 175594704

IUPAC6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
SMILESCCNC(CCCCN)C(=O)O.Cl.Cl
InChIInChI=1S/C8H18N2O2.2ClH/c1-2-10-7(8(11)12)5-3-4-6-9;;/h7,10H,2-6,9H2,1H3,(H,11,12);2*1H
InChIKeyDPQFCPGLACIENJ-UHFFFAOYSA-N
MW247.17 g/mol
LogP1.02
Rot. Bonds7

About 6-amino-2-(ethylamino)hexanoic acid;dihydrochloride

6-amino-2-(ethylamino)hexanoic acid;dihydrochloride (PubChem CID 175594704) has the molecular formula C8H20Cl2N2O2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 6-amino-2-(ethylamino)hexanoic acid;dihydrochloride.

Molecular Properties

Compound Name6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
PubChem CID175594704
Molecular FormulaC8H20Cl2N2O2
Molecular Weight247.17 g/mol
Exact Mass246.09
IUPAC Name6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
SMILESCCNC(CCCCN)C(=O)O.Cl.Cl
InChIInChI=1S/C8H18N2O2.2ClH/c1-2-10-7(8(11)12)5-3-4-6-9;;/h7,10H,2-6,9H2,1H3,(H,11,12);2*1H
InChIKeyDPQFCPGLACIENJ-UHFFFAOYSA-N
XLogP1.02
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid
CID 162326558
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
(2S)-4-amino-2-(ethylamino)butanoic acid
CID 89433986
(2S)-6-amino-2-(ethylamino)hexanamide
CID 90248692
8-amino-4-(ethylamino)octan-3-one
CID 20755672
6-amino-2-(hydroxymethylamino)hexanoic acid
CID 18519143
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
6-amino-2-(carboxymethylamino)hexanoic acid
CID 11680034
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
6-amino-2-(pentylamino)hexanoic acid;azane
CID 174768521
5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride
CID 174056033

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(ethylamino)hexanoic acid;dihydrochloride?
The IUPAC name of 6-amino-2-(ethylamino)hexanoic acid;dihydrochloride (CID 175594704) is 6-amino-2-(ethylamino)hexanoic acid;dihydrochloride.
What is the SMILES notation for 6-amino-2-(ethylamino)hexanoic acid;dihydrochloride?
The canonical SMILES for 6-amino-2-(ethylamino)hexanoic acid;dihydrochloride is CCNC(CCCCN)C(=O)O.Cl.Cl.
What is the InChIKey of 6-amino-2-(ethylamino)hexanoic acid;dihydrochloride?
The InChIKey is DPQFCPGLACIENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2.2ClH/c1-2-10-7(8(11)12)5-3-4-6-9;;/h7,10H,2-6,9H2,1H3,(H,11,12);2*1H.
What are the key properties of 6-amino-2-(ethylamino)hexanoic acid;dihydrochloride?
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride has a molecular weight of 247.17 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(ethylamino)hexanoic acid;dihydrochloride is sourced from PubChem (CID 175594704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).