1-cyclohexyl-3,5-diethyl-2-propyl-2H-pyridine

C18H31N — CID 22572101

IUPAC1-cyclohexyl-3,5-diethyl-2-propyl-2H-pyridine
SMILESCCCC1C(CC)=CC(CC)=CN1C1CCCCC1
InChIInChI=1S/C18H31N/c1-4-10-18-16(6-3)13-15(5-2)14-19(18)17-11-8-7-9-12-17/h13-14,17-18H,4-12H2,1-3H3
InChIKeyKROCHRAIZPBMBP-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.43
Rot. Bonds5

About 1-cyclohexyl-3,5-diethyl-2-propyl-2H-pyridine

1-cyclohexyl-3,5-diethyl-2-propyl-2H-pyridine (PubChem CID 22572101) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-cyclohexyl-3,5-diethyl-2-propyl-2H-pyridine.

Molecular Properties

Compound Name1-cyclohexyl-3,5-diethyl-2-propyl-2H-pyridine
PubChem CID22572101
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-cyclohexyl-3,5-diethyl-2-propyl-2H-pyridine
SMILESCCCC1C(CC)=CC(CC)=CN1C1CCCCC1
InChIInChI=1S/C18H31N/c1-4-10-18-16(6-3)13-15(5-2)14-19(18)17-11-8-7-9-12-17/h13-14,17-18H,4-12H2,1-3H3
InChIKeyKROCHRAIZPBMBP-UHFFFAOYSA-N
XLogP5.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,5-diethyl-2-propyl-2H-pyridine?
The IUPAC name of 1-cyclohexyl-3,5-diethyl-2-propyl-2H-pyridine (CID 22572101) is 1-cyclohexyl-3,5-diethyl-2-propyl-2H-pyridine.
What is the SMILES notation for 1-cyclohexyl-3,5-diethyl-2-propyl-2H-pyridine?
The canonical SMILES for 1-cyclohexyl-3,5-diethyl-2-propyl-2H-pyridine is CCCC1C(CC)=CC(CC)=CN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3,5-diethyl-2-propyl-2H-pyridine?
The InChIKey is KROCHRAIZPBMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-4-10-18-16(6-3)13-15(5-2)14-19(18)17-11-8-7-9-12-17/h13-14,17-18H,4-12H2,1-3H3.
What are the key properties of 1-cyclohexyl-3,5-diethyl-2-propyl-2H-pyridine?
1-cyclohexyl-3,5-diethyl-2-propyl-2H-pyridine has a molecular weight of 261.45 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,5-diethyl-2-propyl-2H-pyridine is sourced from PubChem (CID 22572101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).