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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Related Compounds

2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine
CID 88982622
3-[4-[4-(2,3-Dihydroazet-3-yl)cyclohex-3-en-1-yl]cyclohexyl]-5-azaspiro[3.4]octane
CID 117907585
N-methyl-7-[4-(4-methylhexyl)-2H-pyrrol-2-yl]heptan-2-amine
CID 123270462
4-[[4,4-Bis(prop-2-enyl)pyrrolidin-2-yl]methyl]-5-chloro-3-ethenyl-2-methyl-2,3-dihydropyridine
CID 123866438
2,6-Dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
CID 135135116
5-Methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
CID 135135306
(1S)-3-(2-butylpyrrolidin-1-yl)-N-(1-cyclohexylethenyl)-1-(2,3-dihydropyridin-5-yl)propan-1-amine
CID 135294487
(E)-4-[(Z)-4-(5-ethylpyrrolidin-3-yl)but-1-enyl]dodec-2-en-1-imine
CID 143188374
Methanamine;5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine
CID 143204907
(12E,16Z)-17-methanimidoyl-23-methyl-22-methylidene-N-(8-methylnon-8-enyl)heptacosa-12,16-dien-1-amine
CID 146337044
(Z)-1-(5,5-dimethylpyrrolidin-3-yl)-N,3,3-trimethyloct-5-en-4-imine;ethane
CID 156639157
N-butyl-2-[(5-ethylcyclohepten-1-yl)methyl]-3-iminopropan-1-amine
CID 166963206

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).