4-ethyl-1,4-dimethyl-2,3-dihydropyridine

C9H17N — CID 134565995

IUPAC4-ethyl-1,4-dimethyl-2,3-dihydropyridine
SMILESCCC1(C)C=CN(C)CC1
InChIInChI=1S/C9H17N/c1-4-9(2)5-7-10(3)8-6-9/h5,7H,4,6,8H2,1-3H3
InChIKeyUDMHZABVNPZJFT-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds1

About 4-ethyl-1,4-dimethyl-2,3-dihydropyridine

4-ethyl-1,4-dimethyl-2,3-dihydropyridine (PubChem CID 134565995) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4-ethyl-1,4-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name4-ethyl-1,4-dimethyl-2,3-dihydropyridine
PubChem CID134565995
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4-ethyl-1,4-dimethyl-2,3-dihydropyridine
SMILESCCC1(C)C=CN(C)CC1
InChIInChI=1S/C9H17N/c1-4-9(2)5-7-10(3)8-6-9/h5,7H,4,6,8H2,1-3H3
InChIKeyUDMHZABVNPZJFT-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,4-dimethyl-2,3-dihydropyridine?
The IUPAC name of 4-ethyl-1,4-dimethyl-2,3-dihydropyridine (CID 134565995) is 4-ethyl-1,4-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for 4-ethyl-1,4-dimethyl-2,3-dihydropyridine?
The canonical SMILES for 4-ethyl-1,4-dimethyl-2,3-dihydropyridine is CCC1(C)C=CN(C)CC1.
What is the InChIKey of 4-ethyl-1,4-dimethyl-2,3-dihydropyridine?
The InChIKey is UDMHZABVNPZJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-9(2)5-7-10(3)8-6-9/h5,7H,4,6,8H2,1-3H3.
What are the key properties of 4-ethyl-1,4-dimethyl-2,3-dihydropyridine?
4-ethyl-1,4-dimethyl-2,3-dihydropyridine has a molecular weight of 139.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,4-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 134565995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).