ethane;5-[1-(2-methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine

C19H38N2 — CID 143204904

IUPACethane;5-[1-(2-methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine
SMILESCC.CC.CCC(CCC1(C)CCCN1)C1=CCCN=C1
InChIInChI=1S/C15H26N2.2C2H6/c1-3-13(14-6-4-10-16-12-14)7-9-15(2)8-5-11-17-15;2*1-2/h6,12-13,17H,3-5,7-11H2,1-2H3;2*1-2H3
InChIKeyOICMEUMHDJMATE-UHFFFAOYSA-N
MW294.53 g/mol
LogP5.39
Rot. Bonds5

About ethane;5-[1-(2-methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine

ethane;5-[1-(2-methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine (PubChem CID 143204904) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is ethane;5-[1-(2-methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine.

Molecular Properties

Compound Nameethane;5-[1-(2-methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine
PubChem CID143204904
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Nameethane;5-[1-(2-methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine
SMILESCC.CC.CCC(CCC1(C)CCCN1)C1=CCCN=C1
InChIInChI=1S/C15H26N2.2C2H6/c1-3-13(14-6-4-10-16-12-14)7-9-15(2)8-5-11-17-15;2*1-2/h6,12-13,17H,3-5,7-11H2,1-2H3;2*1-2H3
InChIKeyOICMEUMHDJMATE-UHFFFAOYSA-N
XLogP5.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-[1-(2-methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine?
The IUPAC name of ethane;5-[1-(2-methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine (CID 143204904) is ethane;5-[1-(2-methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine.
What is the SMILES notation for ethane;5-[1-(2-methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine?
The canonical SMILES for ethane;5-[1-(2-methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine is CC.CC.CCC(CCC1(C)CCCN1)C1=CCCN=C1.
What is the InChIKey of ethane;5-[1-(2-methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine?
The InChIKey is OICMEUMHDJMATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2.2C2H6/c1-3-13(14-6-4-10-16-12-14)7-9-15(2)8-5-11-17-15;2*1-2/h6,12-13,17H,3-5,7-11H2,1-2H3;2*1-2H3.
What are the key properties of ethane;5-[1-(2-methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine?
ethane;5-[1-(2-methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine has a molecular weight of 294.53 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[1-(2-methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine is sourced from PubChem (CID 143204904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).