2-imino-2-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]ethanol

C12H18N2O — CID 58418092

IUPAC2-imino-2-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]ethanol
SMILES[H]/N=C(\CO)c1cc(C)nc(CC(C)C)c1
InChIInChI=1S/C12H18N2O/c1-8(2)4-11-6-10(12(13)7-15)5-9(3)14-11/h5-6,8,13,15H,4,7H2,1-3H3/b13-12+
InChIKeyVCQQYCGQKUUDJD-OUKQBFOZSA-N
MW206.29 g/mol
LogP1.95
Rot. Bonds4

About 2-imino-2-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]ethanol

2-imino-2-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]ethanol (PubChem CID 58418092) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-imino-2-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]ethanol.

Molecular Properties

Compound Name2-imino-2-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]ethanol
PubChem CID58418092
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-imino-2-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]ethanol
SMILES[H]/N=C(\CO)c1cc(C)nc(CC(C)C)c1
InChIInChI=1S/C12H18N2O/c1-8(2)4-11-6-10(12(13)7-15)5-9(3)14-11/h5-6,8,13,15H,4,7H2,1-3H3/b13-12+
InChIKeyVCQQYCGQKUUDJD-OUKQBFOZSA-N
XLogP1.95
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-2-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]ethanol?
The IUPAC name of 2-imino-2-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]ethanol (CID 58418092) is 2-imino-2-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]ethanol.
What is the SMILES notation for 2-imino-2-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]ethanol?
The canonical SMILES for 2-imino-2-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]ethanol is [H]/N=C(\CO)c1cc(C)nc(CC(C)C)c1.
What is the InChIKey of 2-imino-2-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]ethanol?
The InChIKey is VCQQYCGQKUUDJD-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)4-11-6-10(12(13)7-15)5-9(3)14-11/h5-6,8,13,15H,4,7H2,1-3H3/b13-12+.
What are the key properties of 2-imino-2-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]ethanol?
2-imino-2-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]ethanol has a molecular weight of 206.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]ethanol is sourced from PubChem (CID 58418092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).