6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde

C12H18N2O2 — CID 80636803

IUPAC6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde
SMILESCC(C)N(CCCO)c1ccc(C=O)cn1
InChIInChI=1S/C12H18N2O2/c1-10(2)14(6-3-7-15)12-5-4-11(9-16)8-13-12/h4-5,8-10,15H,3,6-7H2,1-2H3
InChIKeyJJYLVWLQIRKOSK-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.49
Rot. Bonds6

About 6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde

6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde (PubChem CID 80636803) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde
PubChem CID80636803
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde
SMILESCC(C)N(CCCO)c1ccc(C=O)cn1
InChIInChI=1S/C12H18N2O2/c1-10(2)14(6-3-7-15)12-5-4-11(9-16)8-13-12/h4-5,8-10,15H,3,6-7H2,1-2H3
InChIKeyJJYLVWLQIRKOSK-UHFFFAOYSA-N
XLogP1.49
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.49
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

3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 61314147
6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341229
3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 61146387
6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
CID 80638531
6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde
CID 102863594
3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80811129
2-[(5-chloro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 61150137
3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 83266014
6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde
CID 80636962
(E)-3-[6-[2-methoxyethyl(propan-2-yl)amino]-3-pyridinyl]prop-2-enoic acid
CID 82959726
5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
CID 63388923
6-[ethyl(methyl)amino]pyridine-3-carbaldehyde
CID 76848692

Frequently Asked Questions

What is the IUPAC name of 6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde (CID 80636803) is 6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde is CC(C)N(CCCO)c1ccc(C=O)cn1.
What is the InChIKey of 6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde?
The InChIKey is JJYLVWLQIRKOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10(2)14(6-3-7-15)12-5-4-11(9-16)8-13-12/h4-5,8-10,15H,3,6-7H2,1-2H3.
What are the key properties of 6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde?
6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde has a molecular weight of 222.29 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 80636803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).