(2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine

C9H15N — CID 67991604

IUPAC(2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine
SMILESCC(C)C1=N[C@@H](C)CC=C1
InChIInChI=1S/C9H15N/c1-7(2)9-6-4-5-8(3)10-9/h4,6-8H,5H2,1-3H3/t8-/m0/s1
InChIKeyIXIXOJOECRLBNM-QMMMGPOBSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds1

About (2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine

(2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine (PubChem CID 67991604) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name(2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine
PubChem CID67991604
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine
SMILESCC(C)C1=N[C@@H](C)CC=C1
InChIInChI=1S/C9H15N/c1-7(2)9-6-4-5-8(3)10-9/h4,6-8H,5H2,1-3H3/t8-/m0/s1
InChIKeyIXIXOJOECRLBNM-QMMMGPOBSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine?
The IUPAC name of (2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine (CID 67991604) is (2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine.
What is the SMILES notation for (2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine?
The canonical SMILES for (2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine is CC(C)C1=N[C@@H](C)CC=C1.
What is the InChIKey of (2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine?
The InChIKey is IXIXOJOECRLBNM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)9-6-4-5-8(3)10-9/h4,6-8H,5H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine?
(2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine is sourced from PubChem (CID 67991604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).