5-ethyl-4-methyl-5-propyl-3,4-dihydro-2H-pyridine

C11H21N — CID 123770473

IUPAC5-ethyl-4-methyl-5-propyl-3,4-dihydro-2H-pyridine
SMILESCCCC1(CC)C=NCCC1C
InChIInChI=1S/C11H21N/c1-4-7-11(5-2)9-12-8-6-10(11)3/h9-10H,4-8H2,1-3H3
InChIKeyNBIQMPRVOAQPNO-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.29
Rot. Bonds3

About 5-ethyl-4-methyl-5-propyl-3,4-dihydro-2H-pyridine

5-ethyl-4-methyl-5-propyl-3,4-dihydro-2H-pyridine (PubChem CID 123770473) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 5-ethyl-4-methyl-5-propyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-ethyl-4-methyl-5-propyl-3,4-dihydro-2H-pyridine
PubChem CID123770473
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name5-ethyl-4-methyl-5-propyl-3,4-dihydro-2H-pyridine
SMILESCCCC1(CC)C=NCCC1C
InChIInChI=1S/C11H21N/c1-4-7-11(5-2)9-12-8-6-10(11)3/h9-10H,4-8H2,1-3H3
InChIKeyNBIQMPRVOAQPNO-UHFFFAOYSA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2,5-dimethyl-1-propylcyclopentane
CID 145269100
ethane;1-ethyl-1-propylcyclopropane;propane
CID 177054904
2-ethyl-3,6-dimethyl-2-propylpiperidine
CID 155249124
2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane
CID 141375882
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657
4-ethyl-4-propylcyclohexan-1-ol
CID 91476830
1,2,3-trimethyl-1-propylcyclopentane
CID 91062709
5-ethyl-4-methyl-2,3,4,5-tetrahydropyridine
CID 58247675
1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane
CID 123467509
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179
2,3-dimethyl-2-propyloxetane
CID 89191195
1-butyl-2-methyl-1-propylcyclopropane
CID 123815284

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-5-propyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 5-ethyl-4-methyl-5-propyl-3,4-dihydro-2H-pyridine (CID 123770473) is 5-ethyl-4-methyl-5-propyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 5-ethyl-4-methyl-5-propyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 5-ethyl-4-methyl-5-propyl-3,4-dihydro-2H-pyridine is CCCC1(CC)C=NCCC1C.
What is the InChIKey of 5-ethyl-4-methyl-5-propyl-3,4-dihydro-2H-pyridine?
The InChIKey is NBIQMPRVOAQPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-7-11(5-2)9-12-8-6-10(11)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-ethyl-4-methyl-5-propyl-3,4-dihydro-2H-pyridine?
5-ethyl-4-methyl-5-propyl-3,4-dihydro-2H-pyridine has a molecular weight of 167.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-5-propyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 123770473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).