6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine

C9H17N — CID 91327757

IUPAC6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine
SMILESCCC1=NCC(C)(C)CC1
InChIInChI=1S/C9H17N/c1-4-8-5-6-9(2,3)7-10-8/h4-7H2,1-3H3
InChIKeyXXHPNIQEYGTRPV-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.66
Rot. Bonds1

About 6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine

6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine (PubChem CID 91327757) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine.

Molecular Properties

Compound Name6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine
PubChem CID91327757
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine
SMILESCCC1=NCC(C)(C)CC1
InChIInChI=1S/C9H17N/c1-4-8-5-6-9(2,3)7-10-8/h4-7H2,1-3H3
InChIKeyXXHPNIQEYGTRPV-UHFFFAOYSA-N
XLogP2.66
TPSA12.36 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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine?
The IUPAC name of 6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine (CID 91327757) is 6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine.
What is the SMILES notation for 6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine?
The canonical SMILES for 6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine is CCC1=NCC(C)(C)CC1.
What is the InChIKey of 6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine?
The InChIKey is XXHPNIQEYGTRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-8-5-6-9(2,3)7-10-8/h4-7H2,1-3H3.
What are the key properties of 6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine?
6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine has a molecular weight of 139.24 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine is sourced from PubChem (CID 91327757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).