6-[3-(benzylamino)propylamino]hexan-1-ol

C16H28N2O — CID 22104037

IUPAC6-[3-(benzylamino)propylamino]hexan-1-ol
SMILESOCCCCCCNCCCNCc1ccccc1
InChIInChI=1S/C16H28N2O/c19-14-7-2-1-6-11-17-12-8-13-18-15-16-9-4-3-5-10-16/h3-5,9-10,17-19H,1-2,6-8,11-15H2
InChIKeyJBJWHUPVPSLEGR-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.31
Rot. Bonds12

About 6-[3-(benzylamino)propylamino]hexan-1-ol

6-[3-(benzylamino)propylamino]hexan-1-ol (PubChem CID 22104037) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 6-[3-(benzylamino)propylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[3-(benzylamino)propylamino]hexan-1-ol
PubChem CID22104037
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name6-[3-(benzylamino)propylamino]hexan-1-ol
SMILESOCCCCCCNCCCNCc1ccccc1
InChIInChI=1S/C16H28N2O/c19-14-7-2-1-6-11-17-12-8-13-18-15-16-9-4-3-5-10-16/h3-5,9-10,17-19H,1-2,6-8,11-15H2
InChIKeyJBJWHUPVPSLEGR-UHFFFAOYSA-N
XLogP2.31
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.31
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-[3-(benzylamino)propylamino]hexan-1-ol?
The IUPAC name of 6-[3-(benzylamino)propylamino]hexan-1-ol (CID 22104037) is 6-[3-(benzylamino)propylamino]hexan-1-ol.
What is the SMILES notation for 6-[3-(benzylamino)propylamino]hexan-1-ol?
The canonical SMILES for 6-[3-(benzylamino)propylamino]hexan-1-ol is OCCCCCCNCCCNCc1ccccc1.
What is the InChIKey of 6-[3-(benzylamino)propylamino]hexan-1-ol?
The InChIKey is JBJWHUPVPSLEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c19-14-7-2-1-6-11-17-12-8-13-18-15-16-9-4-3-5-10-16/h3-5,9-10,17-19H,1-2,6-8,11-15H2.
What are the key properties of 6-[3-(benzylamino)propylamino]hexan-1-ol?
6-[3-(benzylamino)propylamino]hexan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 2.31, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(benzylamino)propylamino]hexan-1-ol is sourced from PubChem (CID 22104037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).