2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde

C14H20N2O2 — CID 114055510

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1N(CCO)C1CCCCC1
InChIInChI=1S/C14H20N2O2/c17-10-9-16(13-6-2-1-3-7-13)14-12(11-18)5-4-8-15-14/h4-5,8,11,13,17H,1-3,6-7,9-10H2
InChIKeyGLZSJIKKEQMRCY-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.03
Rot. Bonds5

About 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde

2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde (PubChem CID 114055510) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde
PubChem CID114055510
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1N(CCO)C1CCCCC1
InChIInChI=1S/C14H20N2O2/c17-10-9-16(13-6-2-1-3-7-13)14-12(11-18)5-4-8-15-14/h4-5,8,11,13,17H,1-3,6-7,9-10H2
InChIKeyGLZSJIKKEQMRCY-UHFFFAOYSA-N
XLogP2.03
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 54998817
2-[cyclobutyl-(3-methylsulfonyl-2-pyridinyl)amino]ethanol
CID 102869029
2-[cyclobutyl-(3-methoxy-2-pyridinyl)amino]ethanol
CID 102869021
1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol
CID 114056274
3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 102869240
2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid
CID 102863145
2-[cyclopentyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]ethanol
CID 104733071
2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde
CID 54995444
2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
CID 114060030
1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone
CID 114055612
N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine
CID 80669537
N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine
CID 80668380

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde (CID 114055510) is 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde is O=Cc1cccnc1N(CCO)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde?
The InChIKey is GLZSJIKKEQMRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-10-9-16(13-6-2-1-3-7-13)14-12(11-18)5-4-8-15-14/h4-5,8,11,13,17H,1-3,6-7,9-10H2.
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde?
2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde has a molecular weight of 248.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 114055510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).