5-ethyl-2-[4-[(1R,3R,4R)-3-methyl-4-propylcyclohexyl]phenyl]pyridine

C23H31N — CID 7283254

IUPAC5-ethyl-2-[4-[(1R,3R,4R)-3-methyl-4-propylcyclohexyl]phenyl]pyridine
SMILESCCC[C@@H]1CC[C@@H](c2ccc(-c3ccc(CC)cn3)cc2)C[C@H]1C
InChIInChI=1S/C23H31N/c1-4-6-19-8-13-22(15-17(19)3)20-9-11-21(12-10-20)23-14-7-18(5-2)16-24-23/h7,9-12,14,16-17,19,22H,4-6,8,13,15H2,1-3H3/t17-,19-,22-/m1/s1
InChIKeyPTYQVHLQFUQIHE-SFGWALBWSA-N
MW321.51 g/mol
LogP6.63
Rot. Bonds5

About 5-ethyl-2-[4-[(1R,3R,4R)-3-methyl-4-propylcyclohexyl]phenyl]pyridine

5-ethyl-2-[4-[(1R,3R,4R)-3-methyl-4-propylcyclohexyl]phenyl]pyridine (PubChem CID 7283254) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is 5-ethyl-2-[4-[(1R,3R,4R)-3-methyl-4-propylcyclohexyl]phenyl]pyridine.

Molecular Properties

Compound Name5-ethyl-2-[4-[(1R,3R,4R)-3-methyl-4-propylcyclohexyl]phenyl]pyridine
PubChem CID7283254
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name5-ethyl-2-[4-[(1R,3R,4R)-3-methyl-4-propylcyclohexyl]phenyl]pyridine
SMILESCCC[C@@H]1CC[C@@H](c2ccc(-c3ccc(CC)cn3)cc2)C[C@H]1C
InChIInChI=1S/C23H31N/c1-4-6-19-8-13-22(15-17(19)3)20-9-11-21(12-10-20)23-14-7-18(5-2)16-24-23/h7,9-12,14,16-17,19,22H,4-6,8,13,15H2,1-3H3/t17-,19-,22-/m1/s1
InChIKeyPTYQVHLQFUQIHE-SFGWALBWSA-N
XLogP6.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-2-[4-(4-ethylcyclohexyl)phenyl]pyridine
CID 3126265
2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline
CID 70364597
5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine
CID 5031623
5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
CID 18609134
5-heptoxy-2-[4-(4-hexylcyclohexyl)phenyl]pyridine
CID 139601512
5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57065381
5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine
CID 57067508
2,5-bis(4-ethylphenyl)pyridine
CID 101383412
2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine
CID 18635627
2-(4-dodecylphenyl)-5-ethylpyridine
CID 3092180
[4-(5-ethyl-2-pyridinyl)phenyl] 4-octylcyclohexane-1-carboxylate
CID 54431221
2-[4-[4-(5-pentyl-2-pyridinyl)phenyl]cyclohexyl]but-2-enoic acid
CID 67643802

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-[(1R,3R,4R)-3-methyl-4-propylcyclohexyl]phenyl]pyridine?
The IUPAC name of 5-ethyl-2-[4-[(1R,3R,4R)-3-methyl-4-propylcyclohexyl]phenyl]pyridine (CID 7283254) is 5-ethyl-2-[4-[(1R,3R,4R)-3-methyl-4-propylcyclohexyl]phenyl]pyridine.
What is the SMILES notation for 5-ethyl-2-[4-[(1R,3R,4R)-3-methyl-4-propylcyclohexyl]phenyl]pyridine?
The canonical SMILES for 5-ethyl-2-[4-[(1R,3R,4R)-3-methyl-4-propylcyclohexyl]phenyl]pyridine is CCC[C@@H]1CC[C@@H](c2ccc(-c3ccc(CC)cn3)cc2)C[C@H]1C.
What is the InChIKey of 5-ethyl-2-[4-[(1R,3R,4R)-3-methyl-4-propylcyclohexyl]phenyl]pyridine?
The InChIKey is PTYQVHLQFUQIHE-SFGWALBWSA-N. The full InChI is InChI=1S/C23H31N/c1-4-6-19-8-13-22(15-17(19)3)20-9-11-21(12-10-20)23-14-7-18(5-2)16-24-23/h7,9-12,14,16-17,19,22H,4-6,8,13,15H2,1-3H3/t17-,19-,22-/m1/s1.
What are the key properties of 5-ethyl-2-[4-[(1R,3R,4R)-3-methyl-4-propylcyclohexyl]phenyl]pyridine?
5-ethyl-2-[4-[(1R,3R,4R)-3-methyl-4-propylcyclohexyl]phenyl]pyridine has a molecular weight of 321.51 g/mol, XLogP of 6.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-[(1R,3R,4R)-3-methyl-4-propylcyclohexyl]phenyl]pyridine is sourced from PubChem (CID 7283254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).