2-amino-2-ethyl-6-(ethylamino)hexanoic acid

C10H22N2O2 — CID 123842280

IUPAC2-amino-2-ethyl-6-(ethylamino)hexanoic acid
SMILESCCNCCCCC(N)(CC)C(=O)O
InChIInChI=1S/C10H22N2O2/c1-3-10(11,9(13)14)7-5-6-8-12-4-2/h12H,3-8,11H2,1-2H3,(H,13,14)
InChIKeyXARGWBDAXVRXTG-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.96
Rot. Bonds8

About 2-amino-2-ethyl-6-(ethylamino)hexanoic acid

2-amino-2-ethyl-6-(ethylamino)hexanoic acid (PubChem CID 123842280) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-amino-2-ethyl-6-(ethylamino)hexanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-6-(ethylamino)hexanoic acid
PubChem CID123842280
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-amino-2-ethyl-6-(ethylamino)hexanoic acid
SMILESCCNCCCCC(N)(CC)C(=O)O
InChIInChI=1S/C10H22N2O2/c1-3-10(11,9(13)14)7-5-6-8-12-4-2/h12H,3-8,11H2,1-2H3,(H,13,14)
InChIKeyXARGWBDAXVRXTG-UHFFFAOYSA-N
XLogP0.96
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.96
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-amino-2-ethyl-4-hydroxybutanoic acid
CID 20523504
4-(ethylamino)-2-hydroxy-2-methylbutanoic acid
CID 71603959
2-amino-2-octadecylicosanoic acid
CID 18935913
(2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid
CID 144859243
2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid
CID 106806545
2-amino-6-borono-2-[2-(tert-butylamino)ethyl]hexanoic acid
CID 87173202
2-amino-2-ethyl-5-[methyl(pentyl)amino]pentanoic acid
CID 106805783
2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid
CID 106806761
2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid
CID 106807151
2-amino-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanoic acid
CID 106805744
2-amino-2-ethyl-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid
CID 107755879
10-(ethylamino)decanoic acid
CID 57308942

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-6-(ethylamino)hexanoic acid?
The IUPAC name of 2-amino-2-ethyl-6-(ethylamino)hexanoic acid (CID 123842280) is 2-amino-2-ethyl-6-(ethylamino)hexanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-6-(ethylamino)hexanoic acid?
The canonical SMILES for 2-amino-2-ethyl-6-(ethylamino)hexanoic acid is CCNCCCCC(N)(CC)C(=O)O.
What is the InChIKey of 2-amino-2-ethyl-6-(ethylamino)hexanoic acid?
The InChIKey is XARGWBDAXVRXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-10(11,9(13)14)7-5-6-8-12-4-2/h12H,3-8,11H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-2-ethyl-6-(ethylamino)hexanoic acid?
2-amino-2-ethyl-6-(ethylamino)hexanoic acid has a molecular weight of 202.30 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-6-(ethylamino)hexanoic acid is sourced from PubChem (CID 123842280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).