1-[5-(dodecylamino)pentylamino]pentan-1-ol

C22H48N2O — CID 166892872

IUPAC1-[5-(dodecylamino)pentylamino]pentan-1-ol
SMILESCCCCCCCCCCCCNCCCCCNC(O)CCCC
InChIInChI=1S/C22H48N2O/c1-3-5-7-8-9-10-11-12-13-15-19-23-20-16-14-17-21-24-22(25)18-6-4-2/h22-25H,3-21H2,1-2H3
InChIKeyCCGQUEFWKCEAEA-UHFFFAOYSA-N
MW356.64 g/mol
LogP5.77
Rot. Bonds21

About 1-[5-(dodecylamino)pentylamino]pentan-1-ol

1-[5-(dodecylamino)pentylamino]pentan-1-ol (PubChem CID 166892872) has the molecular formula C22H48N2O and a molecular weight of 356.64 g/mol. Its IUPAC name is 1-[5-(dodecylamino)pentylamino]pentan-1-ol.

Molecular Properties

Compound Name1-[5-(dodecylamino)pentylamino]pentan-1-ol
PubChem CID166892872
Molecular FormulaC22H48N2O
Molecular Weight356.64 g/mol
Exact Mass356.38
IUPAC Name1-[5-(dodecylamino)pentylamino]pentan-1-ol
SMILESCCCCCCCCCCCCNCCCCCNC(O)CCCC
InChIInChI=1S/C22H48N2O/c1-3-5-7-8-9-10-11-12-13-15-19-23-20-16-14-17-21-24-22(25)18-6-4-2/h22-25H,3-21H2,1-2H3
InChIKeyCCGQUEFWKCEAEA-UHFFFAOYSA-N
XLogP5.77
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(pentylamino)dodecan-1-ol
CID 88518034
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)tetracosan-1-ol
CID 88518032
1-(4-hydroxybutylamino)icosan-1-ol
CID 57137086
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
3-amino-1-(hexylamino)propan-1-ol
CID 174419599

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dodecylamino)pentylamino]pentan-1-ol?
The IUPAC name of 1-[5-(dodecylamino)pentylamino]pentan-1-ol (CID 166892872) is 1-[5-(dodecylamino)pentylamino]pentan-1-ol.
What is the SMILES notation for 1-[5-(dodecylamino)pentylamino]pentan-1-ol?
The canonical SMILES for 1-[5-(dodecylamino)pentylamino]pentan-1-ol is CCCCCCCCCCCCNCCCCCNC(O)CCCC.
What is the InChIKey of 1-[5-(dodecylamino)pentylamino]pentan-1-ol?
The InChIKey is CCGQUEFWKCEAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2O/c1-3-5-7-8-9-10-11-12-13-15-19-23-20-16-14-17-21-24-22(25)18-6-4-2/h22-25H,3-21H2,1-2H3.
What are the key properties of 1-[5-(dodecylamino)pentylamino]pentan-1-ol?
1-[5-(dodecylamino)pentylamino]pentan-1-ol has a molecular weight of 356.64 g/mol, XLogP of 5.77, 21 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dodecylamino)pentylamino]pentan-1-ol is sourced from PubChem (CID 166892872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).