2,6-diamino-2-methylhexanoic acid

C7H16N2O2 — CID 3017540

IUPAC2,6-diamino-2-methylhexanoic acid
SMILESCC(N)(CCCCN)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-7(9,6(10)11)4-2-3-5-8/h2-5,8-9H2,1H3,(H,10,11)
InChIKeyCPUSCHYXEUZMSV-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.08
Rot. Bonds5

About 2,6-diamino-2-methylhexanoic acid

2,6-diamino-2-methylhexanoic acid (PubChem CID 3017540) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2,6-diamino-2-methylhexanoic acid.

Molecular Properties

Compound Name2,6-diamino-2-methylhexanoic acid
PubChem CID3017540
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name2,6-diamino-2-methylhexanoic acid
SMILESCC(N)(CCCCN)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-7(9,6(10)11)4-2-3-5-8/h2-5,8-9H2,1H3,(H,10,11)
InChIKeyCPUSCHYXEUZMSV-UHFFFAOYSA-N
XLogP-0.08
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.08
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

2,8-diamino-2-methyloctanoic acid
CID 87814639
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
(2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid
CID 57018880
(2S)-2-amino-6-borono-2-methylhexanoic acid
CID 53249972
2,5-diamino-2-methylpentanamide
CID 130907221
(2R)-2-acetyl-2,6-diaminohexanoic acid
CID 22853479
2-amino-2-methyldec-9-enoic acid
CID 76833646
(2S)-2-amino-2-methyldec-8-ynoic acid
CID 137350215
(2S)-2,6-diamino-2-(dimethylamino)hexanoic acid
CID 151285535
2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid
CID 19969154
2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid
CID 63700666

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-2-methylhexanoic acid?
The IUPAC name of 2,6-diamino-2-methylhexanoic acid (CID 3017540) is 2,6-diamino-2-methylhexanoic acid.
What is the SMILES notation for 2,6-diamino-2-methylhexanoic acid?
The canonical SMILES for 2,6-diamino-2-methylhexanoic acid is CC(N)(CCCCN)C(=O)O.
What is the InChIKey of 2,6-diamino-2-methylhexanoic acid?
The InChIKey is CPUSCHYXEUZMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-7(9,6(10)11)4-2-3-5-8/h2-5,8-9H2,1H3,(H,10,11).
What are the key properties of 2,6-diamino-2-methylhexanoic acid?
2,6-diamino-2-methylhexanoic acid has a molecular weight of 160.22 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-2-methylhexanoic acid is sourced from PubChem (CID 3017540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).