3-(3,6-diethyl-3-methyloctan-4-yl)-6-methyl-2,3-dihydropyridine

C19H35N — CID 91000586

IUPAC3-(3,6-diethyl-3-methyloctan-4-yl)-6-methyl-2,3-dihydropyridine
SMILESCCC(CC)CC(C1C=CC(C)=NC1)C(C)(CC)CC
InChIInChI=1S/C19H35N/c1-7-16(8-2)13-18(19(6,9-3)10-4)17-12-11-15(5)20-14-17/h11-12,16-18H,7-10,13-14H2,1-6H3
InChIKeyBWAFYEVSVGBQAZ-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.90
Rot. Bonds8

About 3-(3,6-diethyl-3-methyloctan-4-yl)-6-methyl-2,3-dihydropyridine

3-(3,6-diethyl-3-methyloctan-4-yl)-6-methyl-2,3-dihydropyridine (PubChem CID 91000586) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 3-(3,6-diethyl-3-methyloctan-4-yl)-6-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name3-(3,6-diethyl-3-methyloctan-4-yl)-6-methyl-2,3-dihydropyridine
PubChem CID91000586
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name3-(3,6-diethyl-3-methyloctan-4-yl)-6-methyl-2,3-dihydropyridine
SMILESCCC(CC)CC(C1C=CC(C)=NC1)C(C)(CC)CC
InChIInChI=1S/C19H35N/c1-7-16(8-2)13-18(19(6,9-3)10-4)17-12-11-15(5)20-14-17/h11-12,16-18H,7-10,13-14H2,1-6H3
InChIKeyBWAFYEVSVGBQAZ-UHFFFAOYSA-N
XLogP5.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-diethyl-3-methyloctan-4-yl)-6-methyl-2,3-dihydropyridine?
The IUPAC name of 3-(3,6-diethyl-3-methyloctan-4-yl)-6-methyl-2,3-dihydropyridine (CID 91000586) is 3-(3,6-diethyl-3-methyloctan-4-yl)-6-methyl-2,3-dihydropyridine.
What is the SMILES notation for 3-(3,6-diethyl-3-methyloctan-4-yl)-6-methyl-2,3-dihydropyridine?
The canonical SMILES for 3-(3,6-diethyl-3-methyloctan-4-yl)-6-methyl-2,3-dihydropyridine is CCC(CC)CC(C1C=CC(C)=NC1)C(C)(CC)CC.
What is the InChIKey of 3-(3,6-diethyl-3-methyloctan-4-yl)-6-methyl-2,3-dihydropyridine?
The InChIKey is BWAFYEVSVGBQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-7-16(8-2)13-18(19(6,9-3)10-4)17-12-11-15(5)20-14-17/h11-12,16-18H,7-10,13-14H2,1-6H3.
What are the key properties of 3-(3,6-diethyl-3-methyloctan-4-yl)-6-methyl-2,3-dihydropyridine?
3-(3,6-diethyl-3-methyloctan-4-yl)-6-methyl-2,3-dihydropyridine has a molecular weight of 277.50 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-diethyl-3-methyloctan-4-yl)-6-methyl-2,3-dihydropyridine is sourced from PubChem (CID 91000586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).