2-aminododec-11-en-3-ol

C12H25NO — CID 85092687

IUPAC2-aminododec-11-en-3-ol
SMILESC=CCCCCCCCC(O)C(C)N
InChIInChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h3,11-12,14H,1,4-10,13H2,2H3
InChIKeyDYBRAHBPARLKOA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.61
Rot. Bonds9

About 2-aminododec-11-en-3-ol

2-aminododec-11-en-3-ol (PubChem CID 85092687) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-aminododec-11-en-3-ol.

Molecular Properties

Compound Name2-aminododec-11-en-3-ol
PubChem CID85092687
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-aminododec-11-en-3-ol
SMILESC=CCCCCCCCC(O)C(C)N
InChIInChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h3,11-12,14H,1,4-10,13H2,2H3
InChIKeyDYBRAHBPARLKOA-UHFFFAOYSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminododec-11-en-3-ol?
The IUPAC name of 2-aminododec-11-en-3-ol (CID 85092687) is 2-aminododec-11-en-3-ol.
What is the SMILES notation for 2-aminododec-11-en-3-ol?
The canonical SMILES for 2-aminododec-11-en-3-ol is C=CCCCCCCCC(O)C(C)N.
What is the InChIKey of 2-aminododec-11-en-3-ol?
The InChIKey is DYBRAHBPARLKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h3,11-12,14H,1,4-10,13H2,2H3.
What are the key properties of 2-aminododec-11-en-3-ol?
2-aminododec-11-en-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminododec-11-en-3-ol is sourced from PubChem (CID 85092687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).