4-(11-methyldodecylamino)butan-1-ol

C17H37NO — CID 54193000

IUPAC4-(11-methyldodecylamino)butan-1-ol
SMILESCC(C)CCCCCCCCCCNCCCCO
InChIInChI=1S/C17H37NO/c1-17(2)13-9-7-5-3-4-6-8-10-14-18-15-11-12-16-19/h17-19H,3-16H2,1-2H3
InChIKeyPJURFXUCKUKKNX-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.52
Rot. Bonds15

About 4-(11-methyldodecylamino)butan-1-ol

4-(11-methyldodecylamino)butan-1-ol (PubChem CID 54193000) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 4-(11-methyldodecylamino)butan-1-ol.

Molecular Properties

Compound Name4-(11-methyldodecylamino)butan-1-ol
PubChem CID54193000
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name4-(11-methyldodecylamino)butan-1-ol
SMILESCC(C)CCCCCCCCCCNCCCCO
InChIInChI=1S/C17H37NO/c1-17(2)13-9-7-5-3-4-6-8-10-14-18-15-11-12-16-19/h17-19H,3-16H2,1-2H3
InChIKeyPJURFXUCKUKKNX-UHFFFAOYSA-N
XLogP4.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.52
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 4-(11-methyldodecylamino)butan-1-ol?
The IUPAC name of 4-(11-methyldodecylamino)butan-1-ol (CID 54193000) is 4-(11-methyldodecylamino)butan-1-ol.
What is the SMILES notation for 4-(11-methyldodecylamino)butan-1-ol?
The canonical SMILES for 4-(11-methyldodecylamino)butan-1-ol is CC(C)CCCCCCCCCCNCCCCO.
What is the InChIKey of 4-(11-methyldodecylamino)butan-1-ol?
The InChIKey is PJURFXUCKUKKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-17(2)13-9-7-5-3-4-6-8-10-14-18-15-11-12-16-19/h17-19H,3-16H2,1-2H3.
What are the key properties of 4-(11-methyldodecylamino)butan-1-ol?
4-(11-methyldodecylamino)butan-1-ol has a molecular weight of 271.49 g/mol, XLogP of 4.52, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11-methyldodecylamino)butan-1-ol is sourced from PubChem (CID 54193000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).