3-methyl-2-pentan-3-yl-2,3-dihydropyridine

C11H19N — CID 123980008

IUPAC3-methyl-2-pentan-3-yl-2,3-dihydropyridine
SMILESCCC(CC)C1N=CC=CC1C
InChIInChI=1S/C11H19N/c1-4-10(5-2)11-9(3)7-6-8-12-11/h6-11H,4-5H2,1-3H3
InChIKeyAUZRGHSAQJVNTI-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.07
Rot. Bonds3

About 3-methyl-2-pentan-3-yl-2,3-dihydropyridine

3-methyl-2-pentan-3-yl-2,3-dihydropyridine (PubChem CID 123980008) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-methyl-2-pentan-3-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name3-methyl-2-pentan-3-yl-2,3-dihydropyridine
PubChem CID123980008
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3-methyl-2-pentan-3-yl-2,3-dihydropyridine
SMILESCCC(CC)C1N=CC=CC1C
InChIInChI=1S/C11H19N/c1-4-10(5-2)11-9(3)7-6-8-12-11/h6-11H,4-5H2,1-3H3
InChIKeyAUZRGHSAQJVNTI-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
2-Propyl-2,3-dihydropyridine
CID 68521817
4-Methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 172628097
N-[(E)-Methyl](phenyl)-N-[(E)-2-propenylidene]methanaminium
CID 137349817
(3S)-N-cyclohexyl-3,7-dimethyloct-6-en-1-imine
CID 13509326
(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
3-Fluoro-2-propan-2-yl-2,3-dihydropyridine
CID 144060454
But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
2,3-Dimethyl-2,3-dihydropyridine
CID 19937065
7,7a-dihydro-4aH-cyclopenta[b]pyridine
CID 20067303
5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine
CID 49760373
2,3,4-Trimethyl-2,3-dihydropyridine
CID 53836102

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pentan-3-yl-2,3-dihydropyridine?
The IUPAC name of 3-methyl-2-pentan-3-yl-2,3-dihydropyridine (CID 123980008) is 3-methyl-2-pentan-3-yl-2,3-dihydropyridine.
What is the SMILES notation for 3-methyl-2-pentan-3-yl-2,3-dihydropyridine?
The canonical SMILES for 3-methyl-2-pentan-3-yl-2,3-dihydropyridine is CCC(CC)C1N=CC=CC1C.
What is the InChIKey of 3-methyl-2-pentan-3-yl-2,3-dihydropyridine?
The InChIKey is AUZRGHSAQJVNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-10(5-2)11-9(3)7-6-8-12-11/h6-11H,4-5H2,1-3H3.
What are the key properties of 3-methyl-2-pentan-3-yl-2,3-dihydropyridine?
3-methyl-2-pentan-3-yl-2,3-dihydropyridine has a molecular weight of 165.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pentan-3-yl-2,3-dihydropyridine is sourced from PubChem (CID 123980008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).