1-propan-2-yl-3-propyl-2H-pyridine

C11H19N — CID 90824371

IUPAC1-propan-2-yl-3-propyl-2H-pyridine
SMILESCCCC1=CC=CN(C(C)C)C1
InChIInChI=1S/C11H19N/c1-4-6-11-7-5-8-12(9-11)10(2)3/h5,7-8,10H,4,6,9H2,1-3H3
InChIKeyFVNIZXWZWABCNY-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.95
Rot. Bonds3

About 1-propan-2-yl-3-propyl-2H-pyridine

1-propan-2-yl-3-propyl-2H-pyridine (PubChem CID 90824371) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-propan-2-yl-3-propyl-2H-pyridine.

Molecular Properties

Compound Name1-propan-2-yl-3-propyl-2H-pyridine
PubChem CID90824371
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-propan-2-yl-3-propyl-2H-pyridine
SMILESCCCC1=CC=CN(C(C)C)C1
InChIInChI=1S/C11H19N/c1-4-6-11-7-5-8-12(9-11)10(2)3/h5,7-8,10H,4,6,9H2,1-3H3
InChIKeyFVNIZXWZWABCNY-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-butyl-4-methylpyridine
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N-Methylnicotin
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N-ethyl nicotine
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3,5-dimethyl-N-butylpyridine
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n-Butyl-n-methylpyridine
CID 154224413
7-Fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine
CID 91218244
5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
CID 129083998
2,3-diethyl-5-fluoro-1-methyl-2H-pyridine
CID 146392399
3-(3-fluoropropyl)-1-methyl-6-propan-2-yl-2H-pyridine
CID 146538057

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-propyl-2H-pyridine?
The IUPAC name of 1-propan-2-yl-3-propyl-2H-pyridine (CID 90824371) is 1-propan-2-yl-3-propyl-2H-pyridine.
What is the SMILES notation for 1-propan-2-yl-3-propyl-2H-pyridine?
The canonical SMILES for 1-propan-2-yl-3-propyl-2H-pyridine is CCCC1=CC=CN(C(C)C)C1.
What is the InChIKey of 1-propan-2-yl-3-propyl-2H-pyridine?
The InChIKey is FVNIZXWZWABCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-6-11-7-5-8-12(9-11)10(2)3/h5,7-8,10H,4,6,9H2,1-3H3.
What are the key properties of 1-propan-2-yl-3-propyl-2H-pyridine?
1-propan-2-yl-3-propyl-2H-pyridine has a molecular weight of 165.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-propyl-2H-pyridine is sourced from PubChem (CID 90824371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).