2-(1-amino-2-hydroxy-2-pyridin-4-ylethyl)hexanal

C13H20N2O2 — CID 174252936

IUPAC2-(1-amino-2-hydroxy-2-pyridin-4-ylethyl)hexanal
SMILESCCCCC(C=O)C(N)C(O)c1ccncc1
InChIInChI=1S/C13H20N2O2/c1-2-3-4-11(9-16)12(14)13(17)10-5-7-15-8-6-10/h5-9,11-13,17H,2-4,14H2,1H3
InChIKeyAXWMUGYXJWAGIJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.45
Rot. Bonds7

About 2-(1-amino-2-hydroxy-2-pyridin-4-ylethyl)hexanal

2-(1-amino-2-hydroxy-2-pyridin-4-ylethyl)hexanal (PubChem CID 174252936) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxy-2-pyridin-4-ylethyl)hexanal.

Molecular Properties

Compound Name2-(1-amino-2-hydroxy-2-pyridin-4-ylethyl)hexanal
PubChem CID174252936
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(1-amino-2-hydroxy-2-pyridin-4-ylethyl)hexanal
SMILESCCCCC(C=O)C(N)C(O)c1ccncc1
InChIInChI=1S/C13H20N2O2/c1-2-3-4-11(9-16)12(14)13(17)10-5-7-15-8-6-10/h5-9,11-13,17H,2-4,14H2,1H3
InChIKeyAXWMUGYXJWAGIJ-UHFFFAOYSA-N
XLogP1.45
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171219804
2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide
CID 81409725
4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine
CID 125129263
1-pyridin-4-yltridecan-1-ol
CID 63410309
(1R)-1-pyridin-4-ylhexan-1-amine
CID 94506997
1-pyridin-4-ylnonan-1-amine
CID 62600271
(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
CID 171200270
(2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide
CID 113357165
hexan-2-amine;pyridine-4-carboxylic acid
CID 159105721
2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide
CID 68953760
2-[(1S)-1-hydroxy-2-methylpropyl]hexanal
CID 91360122
2-pyridin-4-yldecan-3-amine
CID 66445976

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxy-2-pyridin-4-ylethyl)hexanal?
The IUPAC name of 2-(1-amino-2-hydroxy-2-pyridin-4-ylethyl)hexanal (CID 174252936) is 2-(1-amino-2-hydroxy-2-pyridin-4-ylethyl)hexanal.
What is the SMILES notation for 2-(1-amino-2-hydroxy-2-pyridin-4-ylethyl)hexanal?
The canonical SMILES for 2-(1-amino-2-hydroxy-2-pyridin-4-ylethyl)hexanal is CCCCC(C=O)C(N)C(O)c1ccncc1.
What is the InChIKey of 2-(1-amino-2-hydroxy-2-pyridin-4-ylethyl)hexanal?
The InChIKey is AXWMUGYXJWAGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-3-4-11(9-16)12(14)13(17)10-5-7-15-8-6-10/h5-9,11-13,17H,2-4,14H2,1H3.
What are the key properties of 2-(1-amino-2-hydroxy-2-pyridin-4-ylethyl)hexanal?
2-(1-amino-2-hydroxy-2-pyridin-4-ylethyl)hexanal has a molecular weight of 236.31 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxy-2-pyridin-4-ylethyl)hexanal is sourced from PubChem (CID 174252936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).