2-[2-[2-[(2-hydroxycyclohexyl)amino]ethylamino]ethylamino]cyclohexan-1-ol

C16H33N3O2 — CID 13177746

IUPAC2-[2-[2-[(2-hydroxycyclohexyl)amino]ethylamino]ethylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCCNCCNC1CCCCC1O
InChIInChI=1S/C16H33N3O2/c20-15-7-3-1-5-13(15)18-11-9-17-10-12-19-14-6-2-4-8-16(14)21/h13-21H,1-12H2
InChIKeyXHOYLQRZSOIESC-UHFFFAOYSA-N
MW299.46 g/mol
LogP0.36
Rot. Bonds8

About 2-[2-[2-[(2-hydroxycyclohexyl)amino]ethylamino]ethylamino]cyclohexan-1-ol

2-[2-[2-[(2-hydroxycyclohexyl)amino]ethylamino]ethylamino]cyclohexan-1-ol (PubChem CID 13177746) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-[2-[2-[(2-hydroxycyclohexyl)amino]ethylamino]ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-[2-[(2-hydroxycyclohexyl)amino]ethylamino]ethylamino]cyclohexan-1-ol
PubChem CID13177746
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name2-[2-[2-[(2-hydroxycyclohexyl)amino]ethylamino]ethylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCCNCCNC1CCCCC1O
InChIInChI=1S/C16H33N3O2/c20-15-7-3-1-5-13(15)18-11-9-17-10-12-19-14-6-2-4-8-16(14)21/h13-21H,1-12H2
InChIKeyXHOYLQRZSOIESC-UHFFFAOYSA-N
XLogP0.36
TPSA76.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 50.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 2-[2-[2-[(2-hydroxycyclohexyl)amino]ethylamino]ethylamino]cyclohexan-1-ol?
The IUPAC name of 2-[2-[2-[(2-hydroxycyclohexyl)amino]ethylamino]ethylamino]cyclohexan-1-ol (CID 13177746) is 2-[2-[2-[(2-hydroxycyclohexyl)amino]ethylamino]ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[2-[2-[(2-hydroxycyclohexyl)amino]ethylamino]ethylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[2-[2-[(2-hydroxycyclohexyl)amino]ethylamino]ethylamino]cyclohexan-1-ol is OC1CCCCC1NCCNCCNC1CCCCC1O.
What is the InChIKey of 2-[2-[2-[(2-hydroxycyclohexyl)amino]ethylamino]ethylamino]cyclohexan-1-ol?
The InChIKey is XHOYLQRZSOIESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c20-15-7-3-1-5-13(15)18-11-9-17-10-12-19-14-6-2-4-8-16(14)21/h13-21H,1-12H2.
What are the key properties of 2-[2-[2-[(2-hydroxycyclohexyl)amino]ethylamino]ethylamino]cyclohexan-1-ol?
2-[2-[2-[(2-hydroxycyclohexyl)amino]ethylamino]ethylamino]cyclohexan-1-ol has a molecular weight of 299.46 g/mol, XLogP of 0.36, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2-hydroxycyclohexyl)amino]ethylamino]ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 13177746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).