sodium 1-aminododecan-2-olate

C12H26NNaO — CID 88793038

IUPACsodium 1-aminododecan-2-olate
SMILESCCCCCCCCCCC([O-])CN.[Na+]
InChIInChI=1S/C12H26NO.Na/c1-2-3-4-5-6-7-8-9-10-12(14)11-13;/h12H,2-11,13H2,1H3;/q-1;+1
InChIKeyDUGOREUMLHRKQJ-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.79
Rot. Bonds10

About sodium 1-aminododecan-2-olate

sodium 1-aminododecan-2-olate (PubChem CID 88793038) has the molecular formula C12H26NNaO and a molecular weight of 223.34 g/mol. Its IUPAC name is sodium 1-aminododecan-2-olate.

Molecular Properties

Compound Namesodium 1-aminododecan-2-olate
PubChem CID88793038
Molecular FormulaC12H26NNaO
Molecular Weight223.34 g/mol
Exact Mass223.19
IUPAC Namesodium 1-aminododecan-2-olate
SMILESCCCCCCCCCCC([O-])CN.[Na+]
InChIInChI=1S/C12H26NO.Na/c1-2-3-4-5-6-7-8-9-10-12(14)11-13;/h12H,2-11,13H2,1H3;/q-1;+1
InChIKeyDUGOREUMLHRKQJ-UHFFFAOYSA-N
XLogP-0.79
TPSA49.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium 1-aminododecan-2-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrakis(octan-3-olate);titanium(4+)
CID 22250648
(2S)-2-hexyldecan-1-amine
CID 129368307
(2R)-decane-1,2-diamine
CID 102595281
2-dodecylhexadecan-1-amine
CID 23048605
sodium nonan-2-olate
CID 23695654
2-hexyloctadecan-1-amine
CID 87546751
decane-1,2-diamine
CID 517618
dilithium;(3R)-undecan-3-olate
CID 134905430
2-ethyl-3-nonyldodecan-1-amine
CID 162166670
2-methylnonan-1-amine
CID 21396878
2-methyltricosan-1-amine
CID 87547792
2-methyloctadecan-1-amine
CID 56980469

Frequently Asked Questions

What is the IUPAC name of sodium 1-aminododecan-2-olate?
The IUPAC name of sodium 1-aminododecan-2-olate (CID 88793038) is sodium 1-aminododecan-2-olate.
What is the SMILES notation for sodium 1-aminododecan-2-olate?
The canonical SMILES for sodium 1-aminododecan-2-olate is CCCCCCCCCCC([O-])CN.[Na+].
What is the InChIKey of sodium 1-aminododecan-2-olate?
The InChIKey is DUGOREUMLHRKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO.Na/c1-2-3-4-5-6-7-8-9-10-12(14)11-13;/h12H,2-11,13H2,1H3;/q-1;+1.
What are the key properties of sodium 1-aminododecan-2-olate?
sodium 1-aminododecan-2-olate has a molecular weight of 223.34 g/mol, XLogP of -0.79, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-aminododecan-2-olate is sourced from PubChem (CID 88793038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).