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

C8H16N2O — CID 18428525

IUPAC3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol
SMILESOCCCNC1=NCCCC1
InChIInChI=1S/C8H16N2O/c11-7-3-6-10-8-4-1-2-5-9-8/h11H,1-7H2,(H,9,10)
InChIKeyVFIAVSJGAOTUPS-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.54
Rot. Bonds3

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

3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol (PubChem CID 18428525) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol
PubChem CID18428525
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol
SMILESOCCCNC1=NCCCC1
InChIInChI=1S/C8H16N2O/c11-7-3-6-10-8-4-1-2-5-9-8/h11H,1-7H2,(H,9,10)
InChIKeyVFIAVSJGAOTUPS-UHFFFAOYSA-N
XLogP0.54
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
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 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol?
The IUPAC name of 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol (CID 18428525) is 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol.
What is the SMILES notation for 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol?
The canonical SMILES for 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol is OCCCNC1=NCCCC1.
What is the InChIKey of 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol?
The InChIKey is VFIAVSJGAOTUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c11-7-3-6-10-8-4-1-2-5-9-8/h11H,1-7H2,(H,9,10).
What are the key properties of 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol?
3-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-1-ol has a molecular weight of 156.23 g/mol, XLogP of 0.54, 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 is sourced from PubChem (CID 18428525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).