2-butan-2-yl-3,4-dihydropyridine

C9H15N — CID 144727437

IUPAC2-butan-2-yl-3,4-dihydropyridine
SMILESCCC(C)C1=NC=CCC1
InChIInChI=1S/C9H15N/c1-3-8(2)9-6-4-5-7-10-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyADWFUARCWCPIEL-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.78
Rot. Bonds2

About 2-butan-2-yl-3,4-dihydropyridine

2-butan-2-yl-3,4-dihydropyridine (PubChem CID 144727437) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-butan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-butan-2-yl-3,4-dihydropyridine
PubChem CID144727437
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-butan-2-yl-3,4-dihydropyridine
SMILESCCC(C)C1=NC=CCC1
InChIInChI=1S/C9H15N/c1-3-8(2)9-6-4-5-7-10-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyADWFUARCWCPIEL-UHFFFAOYSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-Fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine
CID 141419498
3-Fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine
CID 154991486
2-ethyl-3-(trifluoromethyl)-4,5-dihydro-3H-azepine
CID 163622753
(3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine
CID 166673263
2,4-Dimethyl-4-ethylpyridine
CID 129809879
Azabicyclo[4.3.1]decadiene
CID 129815785
Azabicyclo[3.2.1]octadiene
CID 129817585
2-Propan-2-yl-3,4-dihydropyridine
CID 14979254
4-Propan-2-yl-3,4-dihydropyridine
CID 14979262
4,5,6,7-tetrahydro-3aH-indole
CID 20614425
2-methyl-3-propyl-3H-pyrrole
CID 20806847
2-propan-2-yl-3H-pyrrole
CID 23563334

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3,4-dihydropyridine?
The IUPAC name of 2-butan-2-yl-3,4-dihydropyridine (CID 144727437) is 2-butan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 2-butan-2-yl-3,4-dihydropyridine?
The canonical SMILES for 2-butan-2-yl-3,4-dihydropyridine is CCC(C)C1=NC=CCC1.
What is the InChIKey of 2-butan-2-yl-3,4-dihydropyridine?
The InChIKey is ADWFUARCWCPIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-8(2)9-6-4-5-7-10-9/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 2-butan-2-yl-3,4-dihydropyridine?
2-butan-2-yl-3,4-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 144727437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).