2-imino-2-(2-methyl-6-propan-2-yl-4-pyridinyl)ethanol

C11H16N2O — CID 58418025

IUPAC2-imino-2-(2-methyl-6-propan-2-yl-4-pyridinyl)ethanol
SMILES[H]/N=C(\CO)c1cc(C)nc(C(C)C)c1
InChIInChI=1S/C11H16N2O/c1-7(2)11-5-9(10(12)6-14)4-8(3)13-11/h4-5,7,12,14H,6H2,1-3H3/b12-10+
InChIKeyRGVWRCBRRSVNRK-ZRDIBKRKSA-N
MW192.26 g/mol
LogP1.87
Rot. Bonds3

About 2-imino-2-(2-methyl-6-propan-2-yl-4-pyridinyl)ethanol

2-imino-2-(2-methyl-6-propan-2-yl-4-pyridinyl)ethanol (PubChem CID 58418025) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-imino-2-(2-methyl-6-propan-2-yl-4-pyridinyl)ethanol.

Molecular Properties

Compound Name2-imino-2-(2-methyl-6-propan-2-yl-4-pyridinyl)ethanol
PubChem CID58418025
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-imino-2-(2-methyl-6-propan-2-yl-4-pyridinyl)ethanol
SMILES[H]/N=C(\CO)c1cc(C)nc(C(C)C)c1
InChIInChI=1S/C11H16N2O/c1-7(2)11-5-9(10(12)6-14)4-8(3)13-11/h4-5,7,12,14H,6H2,1-3H3/b12-10+
InChIKeyRGVWRCBRRSVNRK-ZRDIBKRKSA-N
XLogP1.87
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.87
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-propan-2-yl-4-pyridinyl)ethanol?
The IUPAC name of 2-imino-2-(2-methyl-6-propan-2-yl-4-pyridinyl)ethanol (CID 58418025) is 2-imino-2-(2-methyl-6-propan-2-yl-4-pyridinyl)ethanol.
What is the SMILES notation for 2-imino-2-(2-methyl-6-propan-2-yl-4-pyridinyl)ethanol?
The canonical SMILES for 2-imino-2-(2-methyl-6-propan-2-yl-4-pyridinyl)ethanol is [H]/N=C(\CO)c1cc(C)nc(C(C)C)c1.
What is the InChIKey of 2-imino-2-(2-methyl-6-propan-2-yl-4-pyridinyl)ethanol?
The InChIKey is RGVWRCBRRSVNRK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(2)11-5-9(10(12)6-14)4-8(3)13-11/h4-5,7,12,14H,6H2,1-3H3/b12-10+.
What are the key properties of 2-imino-2-(2-methyl-6-propan-2-yl-4-pyridinyl)ethanol?
2-imino-2-(2-methyl-6-propan-2-yl-4-pyridinyl)ethanol has a molecular weight of 192.26 g/mol, XLogP of 1.87, 3 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-propan-2-yl-4-pyridinyl)ethanol is sourced from PubChem (CID 58418025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).