lithium (2S)-2,6-diaminohexan-1-olate

C6H15LiN2O — CID 139649713

IUPAClithium (2S)-2,6-diaminohexan-1-olate
SMILESNCCCC[C@H](N)C[O-].[Li+]
InChIInChI=1S/C6H15N2O.Li/c7-4-2-1-3-6(8)5-9;/h6H,1-5,7-8H2;/q-1;+1/t6-;/m0./s1
InChIKeySNGOSYDVHWSXCO-RGMNGODLSA-N
MW138.14 g/mol
LogP-4.19
Rot. Bonds5

About lithium (2S)-2,6-diaminohexan-1-olate

lithium (2S)-2,6-diaminohexan-1-olate (PubChem CID 139649713) has the molecular formula C6H15LiN2O and a molecular weight of 138.14 g/mol. Its IUPAC name is lithium (2S)-2,6-diaminohexan-1-olate.

Molecular Properties

Compound Namelithium (2S)-2,6-diaminohexan-1-olate
PubChem CID139649713
Molecular FormulaC6H15LiN2O
Molecular Weight138.14 g/mol
Exact Mass138.13
IUPAC Namelithium (2S)-2,6-diaminohexan-1-olate
SMILESNCCCC[C@H](N)C[O-].[Li+]
InChIInChI=1S/C6H15N2O.Li/c7-4-2-1-3-6(8)5-9;/h6H,1-5,7-8H2;/q-1;+1/t6-;/m0./s1
InChIKeySNGOSYDVHWSXCO-RGMNGODLSA-N
XLogP-4.19
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 5-4.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium (2S)-2,6-diaminohexan-1-olate?
The IUPAC name of lithium (2S)-2,6-diaminohexan-1-olate (CID 139649713) is lithium (2S)-2,6-diaminohexan-1-olate.
What is the SMILES notation for lithium (2S)-2,6-diaminohexan-1-olate?
The canonical SMILES for lithium (2S)-2,6-diaminohexan-1-olate is NCCCC[C@H](N)C[O-].[Li+].
What is the InChIKey of lithium (2S)-2,6-diaminohexan-1-olate?
The InChIKey is SNGOSYDVHWSXCO-RGMNGODLSA-N. The full InChI is InChI=1S/C6H15N2O.Li/c7-4-2-1-3-6(8)5-9;/h6H,1-5,7-8H2;/q-1;+1/t6-;/m0./s1.
What are the key properties of lithium (2S)-2,6-diaminohexan-1-olate?
lithium (2S)-2,6-diaminohexan-1-olate has a molecular weight of 138.14 g/mol, XLogP of -4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2S)-2,6-diaminohexan-1-olate is sourced from PubChem (CID 139649713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).