6-(2-aminoethyl)undecan-6-ol

C13H29NO — CID 23063861

IUPAC6-(2-aminoethyl)undecan-6-ol
SMILESCCCCCC(O)(CCN)CCCCC
InChIInChI=1S/C13H29NO/c1-3-5-7-9-13(15,11-12-14)10-8-6-4-2/h15H,3-12,14H2,1-2H3
InChIKeyNDPKZFZRSDHMJF-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.23
Rot. Bonds10

About 6-(2-aminoethyl)undecan-6-ol

6-(2-aminoethyl)undecan-6-ol (PubChem CID 23063861) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 6-(2-aminoethyl)undecan-6-ol.

Molecular Properties

Compound Name6-(2-aminoethyl)undecan-6-ol
PubChem CID23063861
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name6-(2-aminoethyl)undecan-6-ol
SMILESCCCCCC(O)(CCN)CCCCC
InChIInChI=1S/C13H29NO/c1-3-5-7-9-13(15,11-12-14)10-8-6-4-2/h15H,3-12,14H2,1-2H3
InChIKeyNDPKZFZRSDHMJF-UHFFFAOYSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 6-(2-aminoethyl)undecan-6-ol?
The IUPAC name of 6-(2-aminoethyl)undecan-6-ol (CID 23063861) is 6-(2-aminoethyl)undecan-6-ol.
What is the SMILES notation for 6-(2-aminoethyl)undecan-6-ol?
The canonical SMILES for 6-(2-aminoethyl)undecan-6-ol is CCCCCC(O)(CCN)CCCCC.
What is the InChIKey of 6-(2-aminoethyl)undecan-6-ol?
The InChIKey is NDPKZFZRSDHMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-3-5-7-9-13(15,11-12-14)10-8-6-4-2/h15H,3-12,14H2,1-2H3.
What are the key properties of 6-(2-aminoethyl)undecan-6-ol?
6-(2-aminoethyl)undecan-6-ol has a molecular weight of 215.38 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)undecan-6-ol is sourced from PubChem (CID 23063861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).