2,6-diethyl-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine

C15H29N — CID 70986915

IUPAC2,6-diethyl-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine
SMILESCCC1C=CCC(CC)N1C(C)(CC)CC
InChIInChI=1S/C15H29N/c1-6-13-11-10-12-14(7-2)16(13)15(5,8-3)9-4/h10-11,13-14H,6-9,12H2,1-5H3
InChIKeyFZCLDTUNPLZBEY-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.38
Rot. Bonds5

About 2,6-diethyl-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine

2,6-diethyl-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine (PubChem CID 70986915) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2,6-diethyl-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name2,6-diethyl-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine
PubChem CID70986915
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2,6-diethyl-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine
SMILESCCC1C=CCC(CC)N1C(C)(CC)CC
InChIInChI=1S/C15H29N/c1-6-13-11-10-12-14(7-2)16(13)15(5,8-3)9-4/h10-11,13-14H,6-9,12H2,1-5H3
InChIKeyFZCLDTUNPLZBEY-UHFFFAOYSA-N
XLogP4.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 2,6-diethyl-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine (CID 70986915) is 2,6-diethyl-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 2,6-diethyl-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 2,6-diethyl-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine is CCC1C=CCC(CC)N1C(C)(CC)CC.
What is the InChIKey of 2,6-diethyl-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is FZCLDTUNPLZBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-6-13-11-10-12-14(7-2)16(13)15(5,8-3)9-4/h10-11,13-14H,6-9,12H2,1-5H3.
What are the key properties of 2,6-diethyl-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine?
2,6-diethyl-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 223.40 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 70986915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).