(3R)-3-propan-2-yl-2,3,4,5-tetrahydropyridine

C8H15N — CID 142494914

IUPAC(3R)-3-propan-2-yl-2,3,4,5-tetrahydropyridine
SMILESCC(C)[C@H]1CCC=NC1
InChIInChI=1S/C8H15N/c1-7(2)8-4-3-5-9-6-8/h5,7-8H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyOPMOCMUIIDJPOO-QMMMGPOBSA-N
MW125.21 g/mol
LogP2.12
Rot. Bonds1

About (3R)-3-propan-2-yl-2,3,4,5-tetrahydropyridine

(3R)-3-propan-2-yl-2,3,4,5-tetrahydropyridine (PubChem CID 142494914) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (3R)-3-propan-2-yl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name(3R)-3-propan-2-yl-2,3,4,5-tetrahydropyridine
PubChem CID142494914
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(3R)-3-propan-2-yl-2,3,4,5-tetrahydropyridine
SMILESCC(C)[C@H]1CCC=NC1
InChIInChI=1S/C8H15N/c1-7(2)8-4-3-5-9-6-8/h5,7-8H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyOPMOCMUIIDJPOO-QMMMGPOBSA-N
XLogP2.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 54254739
5-propan-2-yl-1,4,5,6-tetrahydropyrimidine
CID 58473779
5-propan-2-yl-5,6-dihydro-4H-1,3-oxazine
CID 15273915
benzene;propan-2-ylcyclohexane
CID 163364158
propan-2-ylcyclopropane;hydroiodide
CID 162314014
methane;propan-2-ylcyclotetradecane
CID 159882779
carbanide;iron(2+);bis(propan-2-ylcyclopentane)
CID 162282173
3-methyl-6-propan-2-yl-1,2,4,5-tetrazine;(1E)-6-propan-2-ylcyclononene
CID 160616860
propane;propan-2-ylcyclopentane
CID 91615250
ethane;methane;propan-2-ylcyclohexane
CID 169430642
(4S)-1-deuterio-4-propan-2-ylcyclohexene
CID 175762829
(5R)-1-methyl-5-propan-2-ylcyclohexene
CID 91700558

Frequently Asked Questions

What is the IUPAC name of (3R)-3-propan-2-yl-2,3,4,5-tetrahydropyridine?
The IUPAC name of (3R)-3-propan-2-yl-2,3,4,5-tetrahydropyridine (CID 142494914) is (3R)-3-propan-2-yl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for (3R)-3-propan-2-yl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for (3R)-3-propan-2-yl-2,3,4,5-tetrahydropyridine is CC(C)[C@H]1CCC=NC1.
What is the InChIKey of (3R)-3-propan-2-yl-2,3,4,5-tetrahydropyridine?
The InChIKey is OPMOCMUIIDJPOO-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)8-4-3-5-9-6-8/h5,7-8H,3-4,6H2,1-2H3/t8-/m0/s1.
What are the key properties of (3R)-3-propan-2-yl-2,3,4,5-tetrahydropyridine?
(3R)-3-propan-2-yl-2,3,4,5-tetrahydropyridine has a molecular weight of 125.21 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propan-2-yl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 142494914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).