3-[4-(cyclohexylmethyl)-3-prop-1-en-2-ylphenyl]-4-ethylpyridine

C23H29N — CID 155050758

IUPAC3-[4-(cyclohexylmethyl)-3-prop-1-en-2-ylphenyl]-4-ethylpyridine
SMILESC=C(C)c1cc(-c2cnccc2CC)ccc1CC1CCCCC1
InChIInChI=1S/C23H29N/c1-4-19-12-13-24-16-23(19)21-11-10-20(22(15-21)17(2)3)14-18-8-6-5-7-9-18/h10-13,15-16,18H,2,4-9,14H2,1,3H3
InChIKeyHVDWPJIMQPSKPD-UHFFFAOYSA-N
MW319.49 g/mol
LogP6.47
Rot. Bonds5

About 3-[4-(cyclohexylmethyl)-3-prop-1-en-2-ylphenyl]-4-ethylpyridine

3-[4-(cyclohexylmethyl)-3-prop-1-en-2-ylphenyl]-4-ethylpyridine (PubChem CID 155050758) has the molecular formula C23H29N and a molecular weight of 319.49 g/mol. Its IUPAC name is 3-[4-(cyclohexylmethyl)-3-prop-1-en-2-ylphenyl]-4-ethylpyridine.

Molecular Properties

Compound Name3-[4-(cyclohexylmethyl)-3-prop-1-en-2-ylphenyl]-4-ethylpyridine
PubChem CID155050758
Molecular FormulaC23H29N
Molecular Weight319.49 g/mol
Exact Mass319.23
IUPAC Name3-[4-(cyclohexylmethyl)-3-prop-1-en-2-ylphenyl]-4-ethylpyridine
SMILESC=C(C)c1cc(-c2cnccc2CC)ccc1CC1CCCCC1
InChIInChI=1S/C23H29N/c1-4-19-12-13-24-16-23(19)21-11-10-20(22(15-21)17(2)3)14-18-8-6-5-7-9-18/h10-13,15-16,18H,2,4-9,14H2,1,3H3
InChIKeyHVDWPJIMQPSKPD-UHFFFAOYSA-N
XLogP6.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylmethyl)-3-prop-1-en-2-ylphenyl]-4-ethylpyridine?
The IUPAC name of 3-[4-(cyclohexylmethyl)-3-prop-1-en-2-ylphenyl]-4-ethylpyridine (CID 155050758) is 3-[4-(cyclohexylmethyl)-3-prop-1-en-2-ylphenyl]-4-ethylpyridine.
What is the SMILES notation for 3-[4-(cyclohexylmethyl)-3-prop-1-en-2-ylphenyl]-4-ethylpyridine?
The canonical SMILES for 3-[4-(cyclohexylmethyl)-3-prop-1-en-2-ylphenyl]-4-ethylpyridine is C=C(C)c1cc(-c2cnccc2CC)ccc1CC1CCCCC1.
What is the InChIKey of 3-[4-(cyclohexylmethyl)-3-prop-1-en-2-ylphenyl]-4-ethylpyridine?
The InChIKey is HVDWPJIMQPSKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N/c1-4-19-12-13-24-16-23(19)21-11-10-20(22(15-21)17(2)3)14-18-8-6-5-7-9-18/h10-13,15-16,18H,2,4-9,14H2,1,3H3.
What are the key properties of 3-[4-(cyclohexylmethyl)-3-prop-1-en-2-ylphenyl]-4-ethylpyridine?
3-[4-(cyclohexylmethyl)-3-prop-1-en-2-ylphenyl]-4-ethylpyridine has a molecular weight of 319.49 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylmethyl)-3-prop-1-en-2-ylphenyl]-4-ethylpyridine is sourced from PubChem (CID 155050758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).