(2R)-5-[(2S)-butan-2-yl]-2-(methoxymethyl)-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyridine

C15H29NO — CID 118018500

IUPAC(2R)-5-[(2S)-butan-2-yl]-2-(methoxymethyl)-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyridine
SMILESCC[C@H](C)C1=C(C)N[C@@H](COC)C(C(C)C)C1
InChIInChI=1S/C15H29NO/c1-7-11(4)14-8-13(10(2)3)15(9-17-6)16-12(14)5/h10-11,13,15-16H,7-9H2,1-6H3/t11-,13?,15-/m0/s1
InChIKeyKWXQAKCHDNWWGW-BJLZJLDMSA-N
MW239.40 g/mol
LogP3.59
Rot. Bonds5

About (2R)-5-[(2S)-butan-2-yl]-2-(methoxymethyl)-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyridine

(2R)-5-[(2S)-butan-2-yl]-2-(methoxymethyl)-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyridine (PubChem CID 118018500) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (2R)-5-[(2S)-butan-2-yl]-2-(methoxymethyl)-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name(2R)-5-[(2S)-butan-2-yl]-2-(methoxymethyl)-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyridine
PubChem CID118018500
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(2R)-5-[(2S)-butan-2-yl]-2-(methoxymethyl)-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyridine
SMILESCC[C@H](C)C1=C(C)N[C@@H](COC)C(C(C)C)C1
InChIInChI=1S/C15H29NO/c1-7-11(4)14-8-13(10(2)3)15(9-17-6)16-12(14)5/h10-11,13,15-16H,7-9H2,1-6H3/t11-,13?,15-/m0/s1
InChIKeyKWXQAKCHDNWWGW-BJLZJLDMSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-[(2S)-butan-2-yl]-2-(methoxymethyl)-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyridine?
The IUPAC name of (2R)-5-[(2S)-butan-2-yl]-2-(methoxymethyl)-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyridine (CID 118018500) is (2R)-5-[(2S)-butan-2-yl]-2-(methoxymethyl)-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for (2R)-5-[(2S)-butan-2-yl]-2-(methoxymethyl)-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for (2R)-5-[(2S)-butan-2-yl]-2-(methoxymethyl)-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyridine is CC[C@H](C)C1=C(C)N[C@@H](COC)C(C(C)C)C1.
What is the InChIKey of (2R)-5-[(2S)-butan-2-yl]-2-(methoxymethyl)-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyridine?
The InChIKey is KWXQAKCHDNWWGW-BJLZJLDMSA-N. The full InChI is InChI=1S/C15H29NO/c1-7-11(4)14-8-13(10(2)3)15(9-17-6)16-12(14)5/h10-11,13,15-16H,7-9H2,1-6H3/t11-,13?,15-/m0/s1.
What are the key properties of (2R)-5-[(2S)-butan-2-yl]-2-(methoxymethyl)-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyridine?
(2R)-5-[(2S)-butan-2-yl]-2-(methoxymethyl)-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyridine has a molecular weight of 239.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[(2S)-butan-2-yl]-2-(methoxymethyl)-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 118018500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).