3-(2-amino-5-methyl-3-pyridinyl)-2-methylpropanal

C10H14N2O — CID 64664951

IUPAC3-(2-amino-5-methyl-3-pyridinyl)-2-methylpropanal
SMILESCc1cnc(N)c(CC(C)C=O)c1
InChIInChI=1S/C10H14N2O/c1-7-3-9(4-8(2)6-13)10(11)12-5-7/h3,5-6,8H,4H2,1-2H3,(H2,11,12)
InChIKeyMIJPWIUGTGUOBG-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.35
Rot. Bonds3

About 3-(2-amino-5-methyl-3-pyridinyl)-2-methylpropanal

3-(2-amino-5-methyl-3-pyridinyl)-2-methylpropanal (PubChem CID 64664951) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(2-amino-5-methyl-3-pyridinyl)-2-methylpropanal.

Molecular Properties

Compound Name3-(2-amino-5-methyl-3-pyridinyl)-2-methylpropanal
PubChem CID64664951
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-(2-amino-5-methyl-3-pyridinyl)-2-methylpropanal
SMILESCc1cnc(N)c(CC(C)C=O)c1
InChIInChI=1S/C10H14N2O/c1-7-3-9(4-8(2)6-13)10(11)12-5-7/h3,5-6,8H,4H2,1-2H3,(H2,11,12)
InChIKeyMIJPWIUGTGUOBG-UHFFFAOYSA-N
XLogP1.35
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
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 3-(2-amino-5-methyl-3-pyridinyl)-2-methylpropanal?
The IUPAC name of 3-(2-amino-5-methyl-3-pyridinyl)-2-methylpropanal (CID 64664951) is 3-(2-amino-5-methyl-3-pyridinyl)-2-methylpropanal.
What is the SMILES notation for 3-(2-amino-5-methyl-3-pyridinyl)-2-methylpropanal?
The canonical SMILES for 3-(2-amino-5-methyl-3-pyridinyl)-2-methylpropanal is Cc1cnc(N)c(CC(C)C=O)c1.
What is the InChIKey of 3-(2-amino-5-methyl-3-pyridinyl)-2-methylpropanal?
The InChIKey is MIJPWIUGTGUOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-3-9(4-8(2)6-13)10(11)12-5-7/h3,5-6,8H,4H2,1-2H3,(H2,11,12).
What are the key properties of 3-(2-amino-5-methyl-3-pyridinyl)-2-methylpropanal?
3-(2-amino-5-methyl-3-pyridinyl)-2-methylpropanal has a molecular weight of 178.23 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methyl-3-pyridinyl)-2-methylpropanal is sourced from PubChem (CID 64664951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).