(2S)-2,6-diaminohexanoic acid;N-ethylethanamine

C10H25N3O2 — CID 89392490

IUPAC(2S)-2,6-diaminohexanoic acid;N-ethylethanamine
SMILESCCNCC.NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2.C4H11N/c7-4-2-1-3-5(8)6(9)10;1-3-5-4-2/h5H,1-4,7-8H2,(H,9,10);5H,3-4H2,1-2H3/t5-;/m0./s1
InChIKeyOVXXIGNKIXGVBM-JEDNCBNOSA-N
MW219.33 g/mol
LogP0.14
Rot. Bonds7

About (2S)-2,6-diaminohexanoic acid;N-ethylethanamine

(2S)-2,6-diaminohexanoic acid;N-ethylethanamine (PubChem CID 89392490) has the molecular formula C10H25N3O2 and a molecular weight of 219.33 g/mol. Its IUPAC name is (2S)-2,6-diaminohexanoic acid;N-ethylethanamine.

Molecular Properties

Compound Name(2S)-2,6-diaminohexanoic acid;N-ethylethanamine
PubChem CID89392490
Molecular FormulaC10H25N3O2
Molecular Weight219.33 g/mol
Exact Mass219.19
IUPAC Name(2S)-2,6-diaminohexanoic acid;N-ethylethanamine
SMILESCCNCC.NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2.C4H11N/c7-4-2-1-3-5(8)6(9)10;1-3-5-4-2/h5H,1-4,7-8H2,(H,9,10);5H,3-4H2,1-2H3/t5-;/m0./s1
InChIKeyOVXXIGNKIXGVBM-JEDNCBNOSA-N
XLogP0.14
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid
CID 121439677
2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143
acetaldehyde;(2S)-2,6-diaminohexanoic acid
CID 87191323
2,6-diaminohexanoic acid;titanium
CID 174642581
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
CID 158432126
CID 158432126
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
sodium 2,6-diaminohexanoic acid
CID 18320454
(2S)-2,6-diaminohexanoic acid;gold
CID 174858889

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diaminohexanoic acid;N-ethylethanamine?
The IUPAC name of (2S)-2,6-diaminohexanoic acid;N-ethylethanamine (CID 89392490) is (2S)-2,6-diaminohexanoic acid;N-ethylethanamine.
What is the SMILES notation for (2S)-2,6-diaminohexanoic acid;N-ethylethanamine?
The canonical SMILES for (2S)-2,6-diaminohexanoic acid;N-ethylethanamine is CCNCC.NCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,6-diaminohexanoic acid;N-ethylethanamine?
The InChIKey is OVXXIGNKIXGVBM-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H14N2O2.C4H11N/c7-4-2-1-3-5(8)6(9)10;1-3-5-4-2/h5H,1-4,7-8H2,(H,9,10);5H,3-4H2,1-2H3/t5-;/m0./s1.
What are the key properties of (2S)-2,6-diaminohexanoic acid;N-ethylethanamine?
(2S)-2,6-diaminohexanoic acid;N-ethylethanamine has a molecular weight of 219.33 g/mol, XLogP of 0.14, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diaminohexanoic acid;N-ethylethanamine is sourced from PubChem (CID 89392490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).