5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine

C15H26N2 — CID 143204908

IUPAC5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine
SMILESCC(CC1(C)CCCN1)C(C)C1=CCCN=C1
InChIInChI=1S/C15H26N2/c1-12(10-15(3)7-5-9-17-15)13(2)14-6-4-8-16-11-14/h6,11-13,17H,4-5,7-10H2,1-3H3
InChIKeySOAPWTYEYQXDKY-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.19
Rot. Bonds4

About 5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine

5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine (PubChem CID 143204908) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine.

Molecular Properties

Compound Name5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine
PubChem CID143204908
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine
SMILESCC(CC1(C)CCCN1)C(C)C1=CCCN=C1
InChIInChI=1S/C15H26N2/c1-12(10-15(3)7-5-9-17-15)13(2)14-6-4-8-16-11-14/h6,11-13,17H,4-5,7-10H2,1-3H3
InChIKeySOAPWTYEYQXDKY-UHFFFAOYSA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine
CID 88982622
2-Methyl-4-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-2,3-dihydropyridine
CID 135135304
(5aS,8aR)-5-propyl-4,4a,5,5a,6,7,8,8a-octahydro-3H-pyrrolo[3,4-g]quinoline
CID 56977788
4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine
CID 89037011
N-methyl-7-[4-(4-methylhexyl)-2H-pyrrol-2-yl]heptan-2-amine
CID 123270462
4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine
CID 123614076
2,6-Dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
CID 135135116
5-Methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
CID 135135306
Ethane;5-[1-(2-methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine
CID 143204904
Methanamine;5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine
CID 143204907
(2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine
CID 167227965
2-(Cyclohexen-1-yl)-2-propan-2-ylpyrrolidine
CID 106653525

Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine?
The IUPAC name of 5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine (CID 143204908) is 5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine.
What is the SMILES notation for 5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine?
The canonical SMILES for 5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine is CC(CC1(C)CCCN1)C(C)C1=CCCN=C1.
What is the InChIKey of 5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine?
The InChIKey is SOAPWTYEYQXDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(10-15(3)7-5-9-17-15)13(2)14-6-4-8-16-11-14/h6,11-13,17H,4-5,7-10H2,1-3H3.
What are the key properties of 5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine?
5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine has a molecular weight of 234.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine is sourced from PubChem (CID 143204908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).