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

C10H20N2O — CID 107317400

IUPAC5-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-1-ol
SMILESOCCCCCNC1=NCCCC1
InChIInChI=1S/C10H20N2O/c13-9-5-1-3-7-11-10-6-2-4-8-12-10/h13H,1-9H2,(H,11,12)
InChIKeyBRVVCVBKVJJWGV-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.32
Rot. Bonds5

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

5-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-1-ol (PubChem CID 107317400) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-1-ol
PubChem CID107317400
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name5-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-1-ol
SMILESOCCCCCNC1=NCCCC1
InChIInChI=1S/C10H20N2O/c13-9-5-1-3-7-11-10-6-2-4-8-12-10/h13H,1-9H2,(H,11,12)
InChIKeyBRVVCVBKVJJWGV-UHFFFAOYSA-N
XLogP1.32
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.32
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 5-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-1-ol?
The IUPAC name of 5-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-1-ol (CID 107317400) is 5-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-1-ol?
The canonical SMILES for 5-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-1-ol is OCCCCCNC1=NCCCC1.
What is the InChIKey of 5-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-1-ol?
The InChIKey is BRVVCVBKVJJWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c13-9-5-1-3-7-11-10-6-2-4-8-12-10/h13H,1-9H2,(H,11,12).
What are the key properties of 5-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-1-ol?
5-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-1-ol is sourced from PubChem (CID 107317400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).