5-(2-pyridin-4-ylethylamino)pentan-1-ol

C12H20N2O — CID 62228451

IUPAC5-(2-pyridin-4-ylethylamino)pentan-1-ol
SMILESOCCCCCNCCc1ccncc1
InChIInChI=1S/C12H20N2O/c15-11-3-1-2-7-13-8-4-12-5-9-14-10-6-12/h5-6,9-10,13,15H,1-4,7-8,11H2
InChIKeyPHJQQTDWNILDTI-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.38
Rot. Bonds8

About 5-(2-pyridin-4-ylethylamino)pentan-1-ol

5-(2-pyridin-4-ylethylamino)pentan-1-ol (PubChem CID 62228451) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-(2-pyridin-4-ylethylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(2-pyridin-4-ylethylamino)pentan-1-ol
PubChem CID62228451
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name5-(2-pyridin-4-ylethylamino)pentan-1-ol
SMILESOCCCCCNCCc1ccncc1
InChIInChI=1S/C12H20N2O/c15-11-3-1-2-7-13-8-4-12-5-9-14-10-6-12/h5-6,9-10,13,15H,1-4,7-8,11H2
InChIKeyPHJQQTDWNILDTI-UHFFFAOYSA-N
XLogP1.38
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.38
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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Related Compounds

2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
N-(2-pyridin-4-ylethyl)heptan-1-amine
CID 60904179
5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 103239957
4-[2-(4-methylphenyl)ethylamino]butan-1-ol
CID 115217735
N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide
CID 113351816
2-[6-(2-phenylethylamino)hexylamino]ethanol
CID 22104030
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257
2-methyl-4-(2-pyridin-4-ylethylamino)butan-2-ol
CID 79359431
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
5-[2-(4-nitrophenyl)ethylamino]pentan-1-ol
CID 62229014
N'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 106045836
5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol
CID 62603706

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-4-ylethylamino)pentan-1-ol?
The IUPAC name of 5-(2-pyridin-4-ylethylamino)pentan-1-ol (CID 62228451) is 5-(2-pyridin-4-ylethylamino)pentan-1-ol.
What is the SMILES notation for 5-(2-pyridin-4-ylethylamino)pentan-1-ol?
The canonical SMILES for 5-(2-pyridin-4-ylethylamino)pentan-1-ol is OCCCCCNCCc1ccncc1.
What is the InChIKey of 5-(2-pyridin-4-ylethylamino)pentan-1-ol?
The InChIKey is PHJQQTDWNILDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c15-11-3-1-2-7-13-8-4-12-5-9-14-10-6-12/h5-6,9-10,13,15H,1-4,7-8,11H2.
What are the key properties of 5-(2-pyridin-4-ylethylamino)pentan-1-ol?
5-(2-pyridin-4-ylethylamino)pentan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-4-ylethylamino)pentan-1-ol is sourced from PubChem (CID 62228451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).