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

C19H34N2O — CID 22103996

IUPAC6-[6-(benzylamino)hexylamino]hexan-1-ol
SMILESOCCCCCCNCCCCCCNCc1ccccc1
InChIInChI=1S/C19H34N2O/c22-17-11-4-3-9-15-20-14-8-1-2-10-16-21-18-19-12-6-5-7-13-19/h5-7,12-13,20-22H,1-4,8-11,14-18H2
InChIKeyZWQLLPRLOPWVLF-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.48
Rot. Bonds15

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

6-[6-(benzylamino)hexylamino]hexan-1-ol (PubChem CID 22103996) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 6-[6-(benzylamino)hexylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[6-(benzylamino)hexylamino]hexan-1-ol
PubChem CID22103996
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name6-[6-(benzylamino)hexylamino]hexan-1-ol
SMILESOCCCCCCNCCCCCCNCc1ccccc1
InChIInChI=1S/C19H34N2O/c22-17-11-4-3-9-15-20-14-8-1-2-10-16-21-18-19-12-6-5-7-13-19/h5-7,12-13,20-22H,1-4,8-11,14-18H2
InChIKeyZWQLLPRLOPWVLF-UHFFFAOYSA-N
XLogP3.48
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 6-[6-(benzylamino)hexylamino]hexan-1-ol?
The IUPAC name of 6-[6-(benzylamino)hexylamino]hexan-1-ol (CID 22103996) is 6-[6-(benzylamino)hexylamino]hexan-1-ol.
What is the SMILES notation for 6-[6-(benzylamino)hexylamino]hexan-1-ol?
The canonical SMILES for 6-[6-(benzylamino)hexylamino]hexan-1-ol is OCCCCCCNCCCCCCNCc1ccccc1.
What is the InChIKey of 6-[6-(benzylamino)hexylamino]hexan-1-ol?
The InChIKey is ZWQLLPRLOPWVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c22-17-11-4-3-9-15-20-14-8-1-2-10-16-21-18-19-12-6-5-7-13-19/h5-7,12-13,20-22H,1-4,8-11,14-18H2.
What are the key properties of 6-[6-(benzylamino)hexylamino]hexan-1-ol?
6-[6-(benzylamino)hexylamino]hexan-1-ol has a molecular weight of 306.49 g/mol, XLogP of 3.48, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(benzylamino)hexylamino]hexan-1-ol is sourced from PubChem (CID 22103996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).