5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine

C13H25N — CID 167225931

IUPAC5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCCC1=C(C(C)C)CCN(C(C)C)C1
InChIInChI=1S/C13H25N/c1-6-12-9-14(11(4)5)8-7-13(12)10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyQBTZLCMKYJRUSE-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.46
Rot. Bonds3

About 5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine

5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 167225931) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID167225931
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCCC1=C(C(C)C)CCN(C(C)C)C1
InChIInChI=1S/C13H25N/c1-6-12-9-14(11(4)5)8-7-13(12)10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyQBTZLCMKYJRUSE-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole
CID 174352136
2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 122503344
5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine
CID 130728343
5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 170633792
N-methyl-1-propan-2-ylpyrrolidin-3-imine
CID 129120591
6-ethyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 167214863
ethane;1,3,4,5,6-penta(propan-2-yl)-2,7-dihydroazepine
CID 158337584
2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine
CID 164720435
[2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-8-yl]phosphane
CID 170019446
(2-propan-2-ylcyclopenten-1-yl)methanol
CID 153463794
5-ethyl-1-methyl-6-propan-2-yl-3,4-dihydro-2H-pyridine
CID 167519513
5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 21057906

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine (CID 167225931) is 5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine is CCC1=C(C(C)C)CCN(C(C)C)C1.
What is the InChIKey of 5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is QBTZLCMKYJRUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-6-12-9-14(11(4)5)8-7-13(12)10(2)3/h10-11H,6-9H2,1-5H3.
What are the key properties of 5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 195.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 167225931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).