1-(pentylamino)dodecan-1-ol

C17H37NO — CID 88518034

IUPAC1-(pentylamino)dodecan-1-ol
SMILESCCCCCCCCCCCC(O)NCCCCC
InChIInChI=1S/C17H37NO/c1-3-5-7-8-9-10-11-12-13-15-17(19)18-16-14-6-4-2/h17-19H,3-16H2,1-2H3
InChIKeyLJSADMLCKLJFRI-UHFFFAOYSA-N
MW271.49 g/mol
LogP5.01
Rot. Bonds15

About 1-(pentylamino)dodecan-1-ol

1-(pentylamino)dodecan-1-ol (PubChem CID 88518034) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 1-(pentylamino)dodecan-1-ol.

Molecular Properties

Compound Name1-(pentylamino)dodecan-1-ol
PubChem CID88518034
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name1-(pentylamino)dodecan-1-ol
SMILESCCCCCCCCCCCC(O)NCCCCC
InChIInChI=1S/C17H37NO/c1-3-5-7-8-9-10-11-12-13-15-17(19)18-16-14-6-4-2/h17-19H,3-16H2,1-2H3
InChIKeyLJSADMLCKLJFRI-UHFFFAOYSA-N
XLogP5.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.49
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(hexadecylamino)docosan-1-ol
CID 88518088
1-(octylamino)dodecan-1-ol
CID 88518081
1-(butylamino)dodecan-1-ol
CID 88517958
1-(butylamino)heptan-1-ol
CID 88518025
1-(4-hydroxybutylamino)icosan-1-ol
CID 57137086
1-(4-hydroxybutylamino)tetracosan-1-ol
CID 88518032
1-(3-hydroxypropylamino)octan-1-ol
CID 57106869
1-(3-hydroxypropylamino)decan-1-ol
CID 57171427
1-(propylamino)nonan-1-ol
CID 88518015
1-(propylamino)dodecan-1-ol
CID 88518023
1-[5-(dodecylamino)pentylamino]pentan-1-ol
CID 166892872
1-(ethylamino)tetradecan-1-ol
CID 88518024

Frequently Asked Questions

What is the IUPAC name of 1-(pentylamino)dodecan-1-ol?
The IUPAC name of 1-(pentylamino)dodecan-1-ol (CID 88518034) is 1-(pentylamino)dodecan-1-ol.
What is the SMILES notation for 1-(pentylamino)dodecan-1-ol?
The canonical SMILES for 1-(pentylamino)dodecan-1-ol is CCCCCCCCCCCC(O)NCCCCC.
What is the InChIKey of 1-(pentylamino)dodecan-1-ol?
The InChIKey is LJSADMLCKLJFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-3-5-7-8-9-10-11-12-13-15-17(19)18-16-14-6-4-2/h17-19H,3-16H2,1-2H3.
What are the key properties of 1-(pentylamino)dodecan-1-ol?
1-(pentylamino)dodecan-1-ol has a molecular weight of 271.49 g/mol, XLogP of 5.01, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentylamino)dodecan-1-ol is sourced from PubChem (CID 88518034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).