2,2-di(propan-2-yl)-1H-pyridine

C11H19N — CID 58056019

IUPAC2,2-di(propan-2-yl)-1H-pyridine
SMILESCC(C)C1(C(C)C)C=CC=CN1
InChIInChI=1S/C11H19N/c1-9(2)11(10(3)4)7-5-6-8-12-11/h5-10,12H,1-4H3
InChIKeyYIZAGXJMHPVFCZ-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.71
Rot. Bonds2

About 2,2-di(propan-2-yl)-1H-pyridine

2,2-di(propan-2-yl)-1H-pyridine (PubChem CID 58056019) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2,2-di(propan-2-yl)-1H-pyridine.

Molecular Properties

Compound Name2,2-di(propan-2-yl)-1H-pyridine
PubChem CID58056019
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2,2-di(propan-2-yl)-1H-pyridine
SMILESCC(C)C1(C(C)C)C=CC=CN1
InChIInChI=1S/C11H19N/c1-9(2)11(10(3)4)7-5-6-8-12-11/h5-10,12H,1-4H3
InChIKeyYIZAGXJMHPVFCZ-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-di(propan-2-yl)-1H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylpropan-2-amine
CID 89939516
2,2-diethyl-5-fluoro-1H-pyridine
CID 138478316
4-(3-fluoro-3-methylbutan-2-yl)-N-methylcyclohexa-1,5-dien-1-amine
CID 143631187
2-Isobutyl-2,4-diisopropylpyridine
CID 129675219
3,3-Diethylisoquinoline
CID 164890311
4-Butan-2-yl-1,2-dihydropyridine
CID 20611638
2,2-ditert-butyl-4-methyl-1H-pyridine
CID 21253935
2-ethyl-2-methyl-1H-pyridine
CID 21692179
2,3,5a,9a-tetrahydro-1H-3-benzazepine
CID 21887107
2,5,5a,9a-tetrahydro-1H-2-benzazepine
CID 22397683
(5E)-6-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]hexa-1,5-dien-3-amine
CID 58536325
4-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-amine
CID 58536481

Frequently Asked Questions

What is the IUPAC name of 2,2-di(propan-2-yl)-1H-pyridine?
The IUPAC name of 2,2-di(propan-2-yl)-1H-pyridine (CID 58056019) is 2,2-di(propan-2-yl)-1H-pyridine.
What is the SMILES notation for 2,2-di(propan-2-yl)-1H-pyridine?
The canonical SMILES for 2,2-di(propan-2-yl)-1H-pyridine is CC(C)C1(C(C)C)C=CC=CN1.
What is the InChIKey of 2,2-di(propan-2-yl)-1H-pyridine?
The InChIKey is YIZAGXJMHPVFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9(2)11(10(3)4)7-5-6-8-12-11/h5-10,12H,1-4H3.
What are the key properties of 2,2-di(propan-2-yl)-1H-pyridine?
2,2-di(propan-2-yl)-1H-pyridine has a molecular weight of 165.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(propan-2-yl)-1H-pyridine is sourced from PubChem (CID 58056019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).