6-(1-pyridin-3-ylethylamino)hexan-1-ol

C13H22N2O — CID 115906807

IUPAC6-(1-pyridin-3-ylethylamino)hexan-1-ol
SMILESCC(NCCCCCCO)c1cccnc1
InChIInChI=1S/C13H22N2O/c1-12(13-7-6-8-14-11-13)15-9-4-2-3-5-10-16/h6-8,11-12,15-16H,2-5,9-10H2,1H3
InChIKeyTWLGTOOBURGYTB-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.28
Rot. Bonds8

About 6-(1-pyridin-3-ylethylamino)hexan-1-ol

6-(1-pyridin-3-ylethylamino)hexan-1-ol (PubChem CID 115906807) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-(1-pyridin-3-ylethylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(1-pyridin-3-ylethylamino)hexan-1-ol
PubChem CID115906807
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name6-(1-pyridin-3-ylethylamino)hexan-1-ol
SMILESCC(NCCCCCCO)c1cccnc1
InChIInChI=1S/C13H22N2O/c1-12(13-7-6-8-14-11-13)15-9-4-2-3-5-10-16/h6-8,11-12,15-16H,2-5,9-10H2,1H3
InChIKeyTWLGTOOBURGYTB-UHFFFAOYSA-N
XLogP2.28
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.28
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

N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid
CID 81405026
5-(1-pyridin-3-ylethylamino)pentanamide
CID 103529775
6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol
CID 107703538
5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol
CID 81410455
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine
CID 104893867
2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol
CID 81405139
4-[[(1S)-1-pyridin-3-ylethyl]amino]butanenitrile
CID 81404677
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
CID 97051673
N-methyl-4-[[(1S)-1-pyridin-3-ylethyl]amino]butanamide
CID 81405194

Frequently Asked Questions

What is the IUPAC name of 6-(1-pyridin-3-ylethylamino)hexan-1-ol?
The IUPAC name of 6-(1-pyridin-3-ylethylamino)hexan-1-ol (CID 115906807) is 6-(1-pyridin-3-ylethylamino)hexan-1-ol.
What is the SMILES notation for 6-(1-pyridin-3-ylethylamino)hexan-1-ol?
The canonical SMILES for 6-(1-pyridin-3-ylethylamino)hexan-1-ol is CC(NCCCCCCO)c1cccnc1.
What is the InChIKey of 6-(1-pyridin-3-ylethylamino)hexan-1-ol?
The InChIKey is TWLGTOOBURGYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-12(13-7-6-8-14-11-13)15-9-4-2-3-5-10-16/h6-8,11-12,15-16H,2-5,9-10H2,1H3.
What are the key properties of 6-(1-pyridin-3-ylethylamino)hexan-1-ol?
6-(1-pyridin-3-ylethylamino)hexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-pyridin-3-ylethylamino)hexan-1-ol is sourced from PubChem (CID 115906807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).