1-[6-(benzylamino)hexylamino]hexan-1-ol

C19H34N2O — CID 23217656

IUPAC1-[6-(benzylamino)hexylamino]hexan-1-ol
SMILESCCCCCC(O)NCCCCCCNCc1ccccc1
InChIInChI=1S/C19H34N2O/c1-2-3-7-14-19(22)21-16-11-5-4-10-15-20-17-18-12-8-6-9-13-18/h6,8-9,12-13,19-22H,2-5,7,10-11,14-17H2,1H3
InChIKeyBLTKXCPQEUAVKK-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.82
Rot. Bonds14

About 1-[6-(benzylamino)hexylamino]hexan-1-ol

1-[6-(benzylamino)hexylamino]hexan-1-ol (PubChem CID 23217656) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-[6-(benzylamino)hexylamino]hexan-1-ol.

Molecular Properties

Compound Name1-[6-(benzylamino)hexylamino]hexan-1-ol
PubChem CID23217656
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name1-[6-(benzylamino)hexylamino]hexan-1-ol
SMILESCCCCCC(O)NCCCCCCNCc1ccccc1
InChIInChI=1S/C19H34N2O/c1-2-3-7-14-19(22)21-16-11-5-4-10-15-20-17-18-12-8-6-9-13-18/h6,8-9,12-13,19-22H,2-5,7,10-11,14-17H2,1H3
InChIKeyBLTKXCPQEUAVKK-UHFFFAOYSA-N
XLogP3.82
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.82
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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Frequently Asked Questions

What is the IUPAC name of 1-[6-(benzylamino)hexylamino]hexan-1-ol?
The IUPAC name of 1-[6-(benzylamino)hexylamino]hexan-1-ol (CID 23217656) is 1-[6-(benzylamino)hexylamino]hexan-1-ol.
What is the SMILES notation for 1-[6-(benzylamino)hexylamino]hexan-1-ol?
The canonical SMILES for 1-[6-(benzylamino)hexylamino]hexan-1-ol is CCCCCC(O)NCCCCCCNCc1ccccc1.
What is the InChIKey of 1-[6-(benzylamino)hexylamino]hexan-1-ol?
The InChIKey is BLTKXCPQEUAVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-2-3-7-14-19(22)21-16-11-5-4-10-15-20-17-18-12-8-6-9-13-18/h6,8-9,12-13,19-22H,2-5,7,10-11,14-17H2,1H3.
What are the key properties of 1-[6-(benzylamino)hexylamino]hexan-1-ol?
1-[6-(benzylamino)hexylamino]hexan-1-ol has a molecular weight of 306.49 g/mol, XLogP of 3.82, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(benzylamino)hexylamino]hexan-1-ol is sourced from PubChem (CID 23217656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).