3-ethyl-4-methyl-6-(oxolan-3-ylmethyl)-1,2-dihydropyridine

C13H21NO — CID 163797160

IUPAC3-ethyl-4-methyl-6-(oxolan-3-ylmethyl)-1,2-dihydropyridine
SMILESCCC1=C(C)C=C(CC2CCOC2)NC1
InChIInChI=1S/C13H21NO/c1-3-12-8-14-13(6-10(12)2)7-11-4-5-15-9-11/h6,11,14H,3-5,7-9H2,1-2H3
InChIKeyNBUKAFJCUSEBHR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.63
Rot. Bonds3

About 3-ethyl-4-methyl-6-(oxolan-3-ylmethyl)-1,2-dihydropyridine

3-ethyl-4-methyl-6-(oxolan-3-ylmethyl)-1,2-dihydropyridine (PubChem CID 163797160) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-ethyl-4-methyl-6-(oxolan-3-ylmethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name3-ethyl-4-methyl-6-(oxolan-3-ylmethyl)-1,2-dihydropyridine
PubChem CID163797160
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-ethyl-4-methyl-6-(oxolan-3-ylmethyl)-1,2-dihydropyridine
SMILESCCC1=C(C)C=C(CC2CCOC2)NC1
InChIInChI=1S/C13H21NO/c1-3-12-8-14-13(6-10(12)2)7-11-4-5-15-9-11/h6,11,14H,3-5,7-9H2,1-2H3
InChIKeyNBUKAFJCUSEBHR-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-N-(5-methoxypentyl)-4-methylcyclohexa-1,5-diene-1,4-diamine
CID 70974521
(2E,4E)-4-N-methyl-2-N-(oxan-4-ylmethyl)-3-prop-1-en-2-ylhepta-2,4,6-triene-2,4-diamine
CID 144055462
ethane;(3Z)-5-methyl-N-(oxan-4-ylmethyl)hexa-1,3,5-trien-2-amine
CID 153333975
ethane;(3Z)-5-methyl-N-(oxan-3-ylmethyl)hexa-1,3,5-trien-2-amine
CID 153334023
1-N-ethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine
CID 154223064
(3E)-N-(5-methoxypentyl)-3-prop-1-en-2-ylpenta-1,3-dien-2-amine
CID 156050771
(E)-N-(oxan-4-ylmethyl)oct-3-en-4-amine
CID 156288617
(2Z,4E)-N,4,5-trimethyl-1-(oxolan-3-yl)hepta-2,4-dien-2-amine
CID 173764840
N-[2-(oxolan-3-yl)ethyl]cyclohex-2-en-1-amine
CID 102672599
(3Z)-5-methyl-N-(oxan-4-ylmethyl)hexa-1,3,5-trien-2-amine
CID 153333976
(3Z)-5-methyl-N-(oxan-3-ylmethyl)hexa-1,3,5-trien-2-amine
CID 153334024

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-6-(oxolan-3-ylmethyl)-1,2-dihydropyridine?
The IUPAC name of 3-ethyl-4-methyl-6-(oxolan-3-ylmethyl)-1,2-dihydropyridine (CID 163797160) is 3-ethyl-4-methyl-6-(oxolan-3-ylmethyl)-1,2-dihydropyridine.
What is the SMILES notation for 3-ethyl-4-methyl-6-(oxolan-3-ylmethyl)-1,2-dihydropyridine?
The canonical SMILES for 3-ethyl-4-methyl-6-(oxolan-3-ylmethyl)-1,2-dihydropyridine is CCC1=C(C)C=C(CC2CCOC2)NC1.
What is the InChIKey of 3-ethyl-4-methyl-6-(oxolan-3-ylmethyl)-1,2-dihydropyridine?
The InChIKey is NBUKAFJCUSEBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-12-8-14-13(6-10(12)2)7-11-4-5-15-9-11/h6,11,14H,3-5,7-9H2,1-2H3.
What are the key properties of 3-ethyl-4-methyl-6-(oxolan-3-ylmethyl)-1,2-dihydropyridine?
3-ethyl-4-methyl-6-(oxolan-3-ylmethyl)-1,2-dihydropyridine has a molecular weight of 207.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-6-(oxolan-3-ylmethyl)-1,2-dihydropyridine is sourced from PubChem (CID 163797160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).