2,6-diaminohexanoic acid;hydron;chloride

C6H15ClN2O2 — CID 53394783

IUPAC2,6-diaminohexanoic acid;hydron;chloride
SMILESNCCCCC(N)C(=O)O.[Cl-].[H+]
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-3.36
Rot. Bonds5

About 2,6-diaminohexanoic acid;hydron;chloride

2,6-diaminohexanoic acid;hydron;chloride (PubChem CID 53394783) has the molecular formula C6H15ClN2O2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 2,6-diaminohexanoic acid;hydron;chloride.

Molecular Properties

Compound Name2,6-diaminohexanoic acid;hydron;chloride
PubChem CID53394783
Molecular FormulaC6H15ClN2O2
Molecular Weight182.65 g/mol
Exact Mass182.08
IUPAC Name2,6-diaminohexanoic acid;hydron;chloride
SMILESNCCCCC(N)C(=O)O.[Cl-].[H+]
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-3.36
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 ≤ 5-3.36
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

(2S)-2,6-diaminohexanoic acid;hydron;dichloride
CID 45382156
tris((2S)-2,6-diaminohexanoic acid);iron(3+);trichloride
CID 10326246
sodium;2,6-diaminohexanoic acid;chloride
CID 175575487
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride
CID 161346238
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
2,13-diaminotridecanoic acid
CID 141414897
2,6-diaminohexanoic acid;titanium
CID 174642581
CID 158432126
CID 158432126
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084

Frequently Asked Questions

What is the IUPAC name of 2,6-diaminohexanoic acid;hydron;chloride?
The IUPAC name of 2,6-diaminohexanoic acid;hydron;chloride (CID 53394783) is 2,6-diaminohexanoic acid;hydron;chloride.
What is the SMILES notation for 2,6-diaminohexanoic acid;hydron;chloride?
The canonical SMILES for 2,6-diaminohexanoic acid;hydron;chloride is NCCCCC(N)C(=O)O.[Cl-].[H+].
What is the InChIKey of 2,6-diaminohexanoic acid;hydron;chloride?
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;hydron;chloride?
2,6-diaminohexanoic acid;hydron;chloride has a molecular weight of 182.65 g/mol, XLogP of -3.36, 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;hydron;chloride is sourced from PubChem (CID 53394783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).