3-(3-ethyl-2-methyl-1-pyridin-3-ylhexyl)pyridine

C19H26N2 — CID 57104377

IUPAC3-(3-ethyl-2-methyl-1-pyridin-3-ylhexyl)pyridine
SMILESCCCC(CC)C(C)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C19H26N2/c1-4-8-16(5-2)15(3)19(17-9-6-11-20-13-17)18-10-7-12-21-14-18/h6-7,9-16,19H,4-5,8H2,1-3H3
InChIKeyHJNAHBGHMVALGS-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.07
Rot. Bonds7

About 3-(3-ethyl-2-methyl-1-pyridin-3-ylhexyl)pyridine

3-(3-ethyl-2-methyl-1-pyridin-3-ylhexyl)pyridine (PubChem CID 57104377) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-(3-ethyl-2-methyl-1-pyridin-3-ylhexyl)pyridine.

Molecular Properties

Compound Name3-(3-ethyl-2-methyl-1-pyridin-3-ylhexyl)pyridine
PubChem CID57104377
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name3-(3-ethyl-2-methyl-1-pyridin-3-ylhexyl)pyridine
SMILESCCCC(CC)C(C)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C19H26N2/c1-4-8-16(5-2)15(3)19(17-9-6-11-20-13-17)18-10-7-12-21-14-18/h6-7,9-16,19H,4-5,8H2,1-3H3
InChIKeyHJNAHBGHMVALGS-UHFFFAOYSA-N
XLogP5.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-pyridin-3-ylpentan-1-amine
CID 115799302
3-[(3S)-heptan-3-yl]pyridine
CID 134862290
N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine
CID 104581333
N,3-dimethyl-2-pyridin-3-ylhexan-1-amine
CID 107887227
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butan-1-amine
CID 81406901
2-methyl-N-propyl-1-pyridin-3-ylpentan-1-amine
CID 115799813
1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine
CID 102980637
2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine
CID 83929792
3-tridecan-7-ylpyridine
CID 129119745
3-decan-5-ylpyridine
CID 170375029
3-(1-pyridin-3-ylbutylamino)butan-1-ol
CID 104582590

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-methyl-1-pyridin-3-ylhexyl)pyridine?
The IUPAC name of 3-(3-ethyl-2-methyl-1-pyridin-3-ylhexyl)pyridine (CID 57104377) is 3-(3-ethyl-2-methyl-1-pyridin-3-ylhexyl)pyridine.
What is the SMILES notation for 3-(3-ethyl-2-methyl-1-pyridin-3-ylhexyl)pyridine?
The canonical SMILES for 3-(3-ethyl-2-methyl-1-pyridin-3-ylhexyl)pyridine is CCCC(CC)C(C)C(c1cccnc1)c1cccnc1.
What is the InChIKey of 3-(3-ethyl-2-methyl-1-pyridin-3-ylhexyl)pyridine?
The InChIKey is HJNAHBGHMVALGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-8-16(5-2)15(3)19(17-9-6-11-20-13-17)18-10-7-12-21-14-18/h6-7,9-16,19H,4-5,8H2,1-3H3.
What are the key properties of 3-(3-ethyl-2-methyl-1-pyridin-3-ylhexyl)pyridine?
3-(3-ethyl-2-methyl-1-pyridin-3-ylhexyl)pyridine has a molecular weight of 282.43 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-methyl-1-pyridin-3-ylhexyl)pyridine is sourced from PubChem (CID 57104377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).