2,6-diaminohexanoic acid;hydrochloride

C6H15ClN2O2 — CID 12047

IUPAC2,6-diaminohexanoic acid;hydrochloride
SMILESCl.NCCCCC(N)C(=O)O
InChIInChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H
InChIKeyBVHLGVCQOALMSV-UHFFFAOYSA-N
MW182.65 g/mol
LogP-0.05
Rot. Bonds5

About 2,6-diaminohexanoic acid;hydrochloride

2,6-diaminohexanoic acid;hydrochloride (PubChem CID 12047) has the molecular formula C6H15ClN2O2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 2,6-diaminohexanoic acid;hydrochloride.

Molecular Properties

Compound Name2,6-diaminohexanoic acid;hydrochloride
PubChem CID12047
Molecular FormulaC6H15ClN2O2
Molecular Weight182.65 g/mol
Exact Mass182.08
IUPAC Name2,6-diaminohexanoic acid;hydrochloride
SMILESCl.NCCCCC(N)C(=O)O
InChIInChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H
InChIKeyBVHLGVCQOALMSV-UHFFFAOYSA-N
XLogP-0.05
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 5-0.05
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

L-Lysine
CID 5962
L-(-)-Ornithine
CID 6262
6-Aminohexanoic Acid
CID 564
L-2-Aminoadipic Acid
CID 92136
Alpha-Aminoadipic Acid
CID 469
Caprine
CID 21236
Ornithine hydrochloride
CID 76654
Lysine, DL-
CID 866
L-Norvaline
CID 65098
D-Ornithine
CID 71082
L-Lysine monohydrochloride
CID 69568
D-Lysine
CID 57449

Frequently Asked Questions

What is the IUPAC name of 2,6-diaminohexanoic acid;hydrochloride?
The IUPAC name of 2,6-diaminohexanoic acid;hydrochloride (CID 12047) is 2,6-diaminohexanoic acid;hydrochloride.
What is the SMILES notation for 2,6-diaminohexanoic acid;hydrochloride?
The canonical SMILES for 2,6-diaminohexanoic acid;hydrochloride is Cl.NCCCCC(N)C(=O)O.
What is the InChIKey of 2,6-diaminohexanoic acid;hydrochloride?
The InChIKey is BVHLGVCQOALMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H.
What are the key properties of 2,6-diaminohexanoic acid;hydrochloride?
2,6-diaminohexanoic acid;hydrochloride has a molecular weight of 182.65 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diaminohexanoic acid;hydrochloride is sourced from PubChem (CID 12047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).