6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde

C13H18N2O2 — CID 102632652

IUPAC6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde
SMILESCN(c1ccc(C=O)cn1)C1CCCCC1O
InChIInChI=1S/C13H18N2O2/c1-15(11-4-2-3-5-12(11)17)13-7-6-10(9-16)8-14-13/h6-9,11-12,17H,2-5H2,1H3
InChIKeyOBMCUIBKIJRBGJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.63
Rot. Bonds3

About 6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde

6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde (PubChem CID 102632652) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde
PubChem CID102632652
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde
SMILESCN(c1ccc(C=O)cn1)C1CCCCC1O
InChIInChI=1S/C13H18N2O2/c1-15(11-4-2-3-5-12(11)17)13-7-6-10(9-16)8-14-13/h6-9,11-12,17H,2-5H2,1H3
InChIKeyOBMCUIBKIJRBGJ-UHFFFAOYSA-N
XLogP1.63
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.63
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

6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341247
3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde
CID 102632644
2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-methylamino]cyclohexan-1-ol
CID 102633012
4-[(2-hydroxycyclohexyl)-methylamino]-3-(trifluoromethyl)benzaldehyde
CID 102632661
6-[ethyl(methyl)amino]pyridine-3-carbaldehyde
CID 76848692
6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde
CID 102863594
6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde
CID 80632585
5-amino-2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxamide
CID 114090686
2-[(5-formyl-2-pyridinyl)-methylamino]acetamide
CID 80637138
5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid
CID 102632504
2-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]cyclohexan-1-ol
CID 102636087
6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde
CID 80636962

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde (CID 102632652) is 6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde is CN(c1ccc(C=O)cn1)C1CCCCC1O.
What is the InChIKey of 6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde?
The InChIKey is OBMCUIBKIJRBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(11-4-2-3-5-12(11)17)13-7-6-10(9-16)8-14-13/h6-9,11-12,17H,2-5H2,1H3.
What are the key properties of 6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde?
6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde has a molecular weight of 234.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde is sourced from PubChem (CID 102632652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).