2-(3,5-diethylcyclohexa-2,4-dien-1-yl)-2-propyl-1H-pyridine

C18H27N — CID 66979181

IUPAC2-(3,5-diethylcyclohexa-2,4-dien-1-yl)-2-propyl-1H-pyridine
SMILESCCCC1(C2C=C(CC)C=C(CC)C2)C=CC=CN1
InChIInChI=1S/C18H27N/c1-4-9-18(10-7-8-11-19-18)17-13-15(5-2)12-16(6-3)14-17/h7-8,10-13,17,19H,4-6,9,14H2,1-3H3
InChIKeyOLPSRHCDPMTCKZ-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.89
Rot. Bonds5

About 2-(3,5-diethylcyclohexa-2,4-dien-1-yl)-2-propyl-1H-pyridine

2-(3,5-diethylcyclohexa-2,4-dien-1-yl)-2-propyl-1H-pyridine (PubChem CID 66979181) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-(3,5-diethylcyclohexa-2,4-dien-1-yl)-2-propyl-1H-pyridine.

Molecular Properties

Compound Name2-(3,5-diethylcyclohexa-2,4-dien-1-yl)-2-propyl-1H-pyridine
PubChem CID66979181
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name2-(3,5-diethylcyclohexa-2,4-dien-1-yl)-2-propyl-1H-pyridine
SMILESCCCC1(C2C=C(CC)C=C(CC)C2)C=CC=CN1
InChIInChI=1S/C18H27N/c1-4-9-18(10-7-8-11-19-18)17-13-15(5-2)12-16(6-3)14-17/h7-8,10-13,17,19H,4-6,9,14H2,1-3H3
InChIKeyOLPSRHCDPMTCKZ-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylcyclohexa-2,4-dien-1-yl)-2-propyl-1H-pyridine?
The IUPAC name of 2-(3,5-diethylcyclohexa-2,4-dien-1-yl)-2-propyl-1H-pyridine (CID 66979181) is 2-(3,5-diethylcyclohexa-2,4-dien-1-yl)-2-propyl-1H-pyridine.
What is the SMILES notation for 2-(3,5-diethylcyclohexa-2,4-dien-1-yl)-2-propyl-1H-pyridine?
The canonical SMILES for 2-(3,5-diethylcyclohexa-2,4-dien-1-yl)-2-propyl-1H-pyridine is CCCC1(C2C=C(CC)C=C(CC)C2)C=CC=CN1.
What is the InChIKey of 2-(3,5-diethylcyclohexa-2,4-dien-1-yl)-2-propyl-1H-pyridine?
The InChIKey is OLPSRHCDPMTCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-4-9-18(10-7-8-11-19-18)17-13-15(5-2)12-16(6-3)14-17/h7-8,10-13,17,19H,4-6,9,14H2,1-3H3.
What are the key properties of 2-(3,5-diethylcyclohexa-2,4-dien-1-yl)-2-propyl-1H-pyridine?
2-(3,5-diethylcyclohexa-2,4-dien-1-yl)-2-propyl-1H-pyridine has a molecular weight of 257.42 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylcyclohexa-2,4-dien-1-yl)-2-propyl-1H-pyridine is sourced from PubChem (CID 66979181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).