3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol;hydroiodide

C8H17IN2O — CID 18428524

IUPAC3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol;hydroiodide
SMILESI.OCCCNC1=NCCCC1
InChIInChI=1S/C8H16N2O.HI/c11-7-3-6-10-8-4-1-2-5-9-8;/h11H,1-7H2,(H,9,10);1H
InChIKeyWLGHQDSMBMLQMP-UHFFFAOYSA-N
MW284.14 g/mol
LogP1.16
Rot. Bonds3

About 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol;hydroiodide

3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol;hydroiodide (PubChem CID 18428524) has the molecular formula C8H17IN2O and a molecular weight of 284.14 g/mol. Its IUPAC name is 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol;hydroiodide.

Molecular Properties

Compound Name3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol;hydroiodide
PubChem CID18428524
Molecular FormulaC8H17IN2O
Molecular Weight284.14 g/mol
Exact Mass284.04
IUPAC Name3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol;hydroiodide
SMILESI.OCCCNC1=NCCCC1
InChIInChI=1S/C8H16N2O.HI/c11-7-3-6-10-8-4-1-2-5-9-8;/h11H,1-7H2,(H,9,10);1H
InChIKeyWLGHQDSMBMLQMP-UHFFFAOYSA-N
XLogP1.16
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol;hydroiodide?
The IUPAC name of 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol;hydroiodide (CID 18428524) is 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol;hydroiodide.
What is the SMILES notation for 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol;hydroiodide?
The canonical SMILES for 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol;hydroiodide is I.OCCCNC1=NCCCC1.
What is the InChIKey of 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol;hydroiodide?
The InChIKey is WLGHQDSMBMLQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.HI/c11-7-3-6-10-8-4-1-2-5-9-8;/h11H,1-7H2,(H,9,10);1H.
What are the key properties of 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol;hydroiodide?
3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol;hydroiodide has a molecular weight of 284.14 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol;hydroiodide is sourced from PubChem (CID 18428524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).