4-butyl-1-ethyl-3,4-dihydro-2H-pyridine

C11H21N — CID 166488198

IUPAC4-butyl-1-ethyl-3,4-dihydro-2H-pyridine
SMILESCCCCC1C=CN(CC)CC1
InChIInChI=1S/C11H21N/c1-3-5-6-11-7-9-12(4-2)10-8-11/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyRXCSHSMAKAZTHC-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.03
Rot. Bonds4

About 4-butyl-1-ethyl-3,4-dihydro-2H-pyridine

4-butyl-1-ethyl-3,4-dihydro-2H-pyridine (PubChem CID 166488198) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4-butyl-1-ethyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-butyl-1-ethyl-3,4-dihydro-2H-pyridine
PubChem CID166488198
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4-butyl-1-ethyl-3,4-dihydro-2H-pyridine
SMILESCCCCC1C=CN(CC)CC1
InChIInChI=1S/C11H21N/c1-3-5-6-11-7-9-12(4-2)10-8-11/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyRXCSHSMAKAZTHC-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-ethyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 4-butyl-1-ethyl-3,4-dihydro-2H-pyridine (CID 166488198) is 4-butyl-1-ethyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 4-butyl-1-ethyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 4-butyl-1-ethyl-3,4-dihydro-2H-pyridine is CCCCC1C=CN(CC)CC1.
What is the InChIKey of 4-butyl-1-ethyl-3,4-dihydro-2H-pyridine?
The InChIKey is RXCSHSMAKAZTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-5-6-11-7-9-12(4-2)10-8-11/h7,9,11H,3-6,8,10H2,1-2H3.
What are the key properties of 4-butyl-1-ethyl-3,4-dihydro-2H-pyridine?
4-butyl-1-ethyl-3,4-dihydro-2H-pyridine has a molecular weight of 167.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-ethyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 166488198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).