6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde

C12H18N2O — CID 80636962

IUPAC6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde
SMILESCC(C)C(C)N(C)c1ccc(C=O)cn1
InChIInChI=1S/C12H18N2O/c1-9(2)10(3)14(4)12-6-5-11(8-15)7-13-12/h5-10H,1-4H3
InChIKeyNHEOBZPISPQALX-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.37
Rot. Bonds4

About 6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde

6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde (PubChem CID 80636962) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde
PubChem CID80636962
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde
SMILESCC(C)C(C)N(C)c1ccc(C=O)cn1
InChIInChI=1S/C12H18N2O/c1-9(2)10(3)14(4)12-6-5-11(8-15)7-13-12/h5-10H,1-4H3
InChIKeyNHEOBZPISPQALX-UHFFFAOYSA-N
XLogP2.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde (CID 80636962) is 6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde is CC(C)C(C)N(C)c1ccc(C=O)cn1.
What is the InChIKey of 6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde?
The InChIKey is NHEOBZPISPQALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)10(3)14(4)12-6-5-11(8-15)7-13-12/h5-10H,1-4H3.
What are the key properties of 6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde?
6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde has a molecular weight of 206.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 80636962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).