4-(4-cyclohexylbutan-2-yl)-3-methylpyridine

C16H25N — CID 21279033

IUPAC4-(4-cyclohexylbutan-2-yl)-3-methylpyridine
SMILESCc1cnccc1C(C)CCC1CCCCC1
InChIInChI=1S/C16H25N/c1-13(16-10-11-17-12-14(16)2)8-9-15-6-4-3-5-7-15/h10-13,15H,3-9H2,1-2H3
InChIKeyFMGKINZODKFMRF-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.85
Rot. Bonds4

About 4-(4-cyclohexylbutan-2-yl)-3-methylpyridine

4-(4-cyclohexylbutan-2-yl)-3-methylpyridine (PubChem CID 21279033) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-(4-cyclohexylbutan-2-yl)-3-methylpyridine.

Molecular Properties

Compound Name4-(4-cyclohexylbutan-2-yl)-3-methylpyridine
PubChem CID21279033
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-(4-cyclohexylbutan-2-yl)-3-methylpyridine
SMILESCc1cnccc1C(C)CCC1CCCCC1
InChIInChI=1S/C16H25N/c1-13(16-10-11-17-12-14(16)2)8-9-15-6-4-3-5-7-15/h10-13,15H,3-9H2,1-2H3
InChIKeyFMGKINZODKFMRF-UHFFFAOYSA-N
XLogP4.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylbutan-2-yl)-3-methylpyridine?
The IUPAC name of 4-(4-cyclohexylbutan-2-yl)-3-methylpyridine (CID 21279033) is 4-(4-cyclohexylbutan-2-yl)-3-methylpyridine.
What is the SMILES notation for 4-(4-cyclohexylbutan-2-yl)-3-methylpyridine?
The canonical SMILES for 4-(4-cyclohexylbutan-2-yl)-3-methylpyridine is Cc1cnccc1C(C)CCC1CCCCC1.
What is the InChIKey of 4-(4-cyclohexylbutan-2-yl)-3-methylpyridine?
The InChIKey is FMGKINZODKFMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13(16-10-11-17-12-14(16)2)8-9-15-6-4-3-5-7-15/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 4-(4-cyclohexylbutan-2-yl)-3-methylpyridine?
4-(4-cyclohexylbutan-2-yl)-3-methylpyridine has a molecular weight of 231.38 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylbutan-2-yl)-3-methylpyridine is sourced from PubChem (CID 21279033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).