5-(pyridin-3-ylmethylamino)pentan-1-ol

C11H18N2O — CID 17206502

IUPAC5-(pyridin-3-ylmethylamino)pentan-1-ol
SMILESOCCCCCNCc1cccnc1
InChIInChI=1S/C11H18N2O/c14-8-3-1-2-6-12-9-11-5-4-7-13-10-11/h4-5,7,10,12,14H,1-3,6,8-9H2
InChIKeyRAIUSKYCVCHBRO-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.33
Rot. Bonds7

About 5-(pyridin-3-ylmethylamino)pentan-1-ol

5-(pyridin-3-ylmethylamino)pentan-1-ol (PubChem CID 17206502) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-(pyridin-3-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(pyridin-3-ylmethylamino)pentan-1-ol
PubChem CID17206502
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-(pyridin-3-ylmethylamino)pentan-1-ol
SMILESOCCCCCNCc1cccnc1
InChIInChI=1S/C11H18N2O/c14-8-3-1-2-6-12-9-11-5-4-7-13-10-11/h4-5,7,10,12,14H,1-3,6,8-9H2
InChIKeyRAIUSKYCVCHBRO-UHFFFAOYSA-N
XLogP1.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.33
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-(pyridin-3-ylmethylamino)pentan-1-ol?
The IUPAC name of 5-(pyridin-3-ylmethylamino)pentan-1-ol (CID 17206502) is 5-(pyridin-3-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 5-(pyridin-3-ylmethylamino)pentan-1-ol?
The canonical SMILES for 5-(pyridin-3-ylmethylamino)pentan-1-ol is OCCCCCNCc1cccnc1.
What is the InChIKey of 5-(pyridin-3-ylmethylamino)pentan-1-ol?
The InChIKey is RAIUSKYCVCHBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-8-3-1-2-6-12-9-11-5-4-7-13-10-11/h4-5,7,10,12,14H,1-3,6,8-9H2.
What are the key properties of 5-(pyridin-3-ylmethylamino)pentan-1-ol?
5-(pyridin-3-ylmethylamino)pentan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 17206502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).