1-aminoundecan-2-ol

C11H25NO — CID 22163726

IUPAC1-aminoundecan-2-ol
SMILESCCCCCCCCCC(O)CN
InChIInChI=1S/C11H25NO/c1-2-3-4-5-6-7-8-9-11(13)10-12/h11,13H,2-10,12H2,1H3
InChIKeyNSEKSRWWQUGVJF-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.45
Rot. Bonds9

About 1-aminoundecan-2-ol

1-aminoundecan-2-ol (PubChem CID 22163726) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-aminoundecan-2-ol.

Molecular Properties

Compound Name1-aminoundecan-2-ol
PubChem CID22163726
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name1-aminoundecan-2-ol
SMILESCCCCCCCCCC(O)CN
InChIInChI=1S/C11H25NO/c1-2-3-4-5-6-7-8-9-11(13)10-12/h11,13H,2-10,12H2,1H3
InChIKeyNSEKSRWWQUGVJF-UHFFFAOYSA-N
XLogP2.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.45
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 1-aminoundecan-2-ol?
The IUPAC name of 1-aminoundecan-2-ol (CID 22163726) is 1-aminoundecan-2-ol.
What is the SMILES notation for 1-aminoundecan-2-ol?
The canonical SMILES for 1-aminoundecan-2-ol is CCCCCCCCCC(O)CN.
What is the InChIKey of 1-aminoundecan-2-ol?
The InChIKey is NSEKSRWWQUGVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-2-3-4-5-6-7-8-9-11(13)10-12/h11,13H,2-10,12H2,1H3.
What are the key properties of 1-aminoundecan-2-ol?
1-aminoundecan-2-ol has a molecular weight of 187.33 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoundecan-2-ol is sourced from PubChem (CID 22163726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).