1,4-diethyl-2,2-dimethyl-5,6-di(propan-2-yl)pyridine

C17H31N — CID 58291480

IUPAC1,4-diethyl-2,2-dimethyl-5,6-di(propan-2-yl)pyridine
SMILESCCC1=CC(C)(C)N(CC)C(C(C)C)=C1C(C)C
InChIInChI=1S/C17H31N/c1-9-14-11-17(7,8)18(10-2)16(13(5)6)15(14)12(3)4/h11-13H,9-10H2,1-8H3
InChIKeyJKJOPNMQPRYPKT-UHFFFAOYSA-N
MW249.44 g/mol
LogP5.00
Rot. Bonds4

About 1,4-diethyl-2,2-dimethyl-5,6-di(propan-2-yl)pyridine

1,4-diethyl-2,2-dimethyl-5,6-di(propan-2-yl)pyridine (PubChem CID 58291480) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 1,4-diethyl-2,2-dimethyl-5,6-di(propan-2-yl)pyridine.

Molecular Properties

Compound Name1,4-diethyl-2,2-dimethyl-5,6-di(propan-2-yl)pyridine
PubChem CID58291480
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name1,4-diethyl-2,2-dimethyl-5,6-di(propan-2-yl)pyridine
SMILESCCC1=CC(C)(C)N(CC)C(C(C)C)=C1C(C)C
InChIInChI=1S/C17H31N/c1-9-14-11-17(7,8)18(10-2)16(13(5)6)15(14)12(3)4/h11-13H,9-10H2,1-8H3
InChIKeyJKJOPNMQPRYPKT-UHFFFAOYSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-2,2-dimethyl-5,6-di(propan-2-yl)pyridine?
The IUPAC name of 1,4-diethyl-2,2-dimethyl-5,6-di(propan-2-yl)pyridine (CID 58291480) is 1,4-diethyl-2,2-dimethyl-5,6-di(propan-2-yl)pyridine.
What is the SMILES notation for 1,4-diethyl-2,2-dimethyl-5,6-di(propan-2-yl)pyridine?
The canonical SMILES for 1,4-diethyl-2,2-dimethyl-5,6-di(propan-2-yl)pyridine is CCC1=CC(C)(C)N(CC)C(C(C)C)=C1C(C)C.
What is the InChIKey of 1,4-diethyl-2,2-dimethyl-5,6-di(propan-2-yl)pyridine?
The InChIKey is JKJOPNMQPRYPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-9-14-11-17(7,8)18(10-2)16(13(5)6)15(14)12(3)4/h11-13H,9-10H2,1-8H3.
What are the key properties of 1,4-diethyl-2,2-dimethyl-5,6-di(propan-2-yl)pyridine?
1,4-diethyl-2,2-dimethyl-5,6-di(propan-2-yl)pyridine has a molecular weight of 249.44 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-2,2-dimethyl-5,6-di(propan-2-yl)pyridine is sourced from PubChem (CID 58291480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).