(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride

C7H18Cl2N2O2 — CID 22872767

IUPAC(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
SMILESCN[C@@H](CCCCN)C(=O)O.Cl.Cl
InChIInChI=1S/C7H16N2O2.2ClH/c1-9-6(7(10)11)4-2-3-5-8;;/h6,9H,2-5,8H2,1H3,(H,10,11);2*1H/t6-;;/m0../s1
InChIKeyKLMAEDZBPMVAHM-ILKKLZGPSA-N
MW233.14 g/mol
LogP0.63
Rot. Bonds6

About (2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride

(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride (PubChem CID 22872767) has the molecular formula C7H18Cl2N2O2 and a molecular weight of 233.14 g/mol. Its IUPAC name is (2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride.

Molecular Properties

Compound Name(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
PubChem CID22872767
Molecular FormulaC7H18Cl2N2O2
Molecular Weight233.14 g/mol
Exact Mass232.07
IUPAC Name(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
SMILESCN[C@@H](CCCCN)C(=O)O.Cl.Cl
InChIInChI=1S/C7H16N2O2.2ClH/c1-9-6(7(10)11)4-2-3-5-8;;/h6,9H,2-5,8H2,1H3,(H,10,11);2*1H/t6-;;/m0../s1
InChIKeyKLMAEDZBPMVAHM-ILKKLZGPSA-N
XLogP0.63
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 50.63
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

5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704
CID 171042672
CID 171042672
7-amino-3-(methylamino)heptan-2-one;ethane
CID 153401274
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
(2S)-6-amino-2-(prop-1-ynylamino)hexanoic acid
CID 154083989
(2S)-6-amino-2-(methylamino)-6-oxohexanoic acid
CID 177277672
6-amino-2-(1-aminoethylamino)hexanoic acid
CID 87754048
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
6-methyl-2-(methylamino)heptanoic acid
CID 91290146
6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid
CID 174469022

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride?
The IUPAC name of (2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride (CID 22872767) is (2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride.
What is the SMILES notation for (2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride?
The canonical SMILES for (2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride is CN[C@@H](CCCCN)C(=O)O.Cl.Cl.
What is the InChIKey of (2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride?
The InChIKey is KLMAEDZBPMVAHM-ILKKLZGPSA-N. The full InChI is InChI=1S/C7H16N2O2.2ClH/c1-9-6(7(10)11)4-2-3-5-8;;/h6,9H,2-5,8H2,1H3,(H,10,11);2*1H/t6-;;/m0../s1.
What are the key properties of (2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride?
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride has a molecular weight of 233.14 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride is sourced from PubChem (CID 22872767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).