2-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-4-methyl-3H-pyridine

C18H31N — CID 129191352

IUPAC2-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-4-methyl-3H-pyridine
SMILESCC(C)(C)CC1(C)C=CN=C(CC2CCCCC2)C1
InChIInChI=1S/C18H31N/c1-17(2,3)14-18(4)10-11-19-16(13-18)12-15-8-6-5-7-9-15/h10-11,15H,5-9,12-14H2,1-4H3
InChIKeyXATFZFNCNMIMKL-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.76
Rot. Bonds3

About 2-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-4-methyl-3H-pyridine

2-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-4-methyl-3H-pyridine (PubChem CID 129191352) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-4-methyl-3H-pyridine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-4-methyl-3H-pyridine
PubChem CID129191352
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-4-methyl-3H-pyridine
SMILESCC(C)(C)CC1(C)C=CN=C(CC2CCCCC2)C1
InChIInChI=1S/C18H31N/c1-17(2,3)14-18(4)10-11-19-16(13-18)12-15-8-6-5-7-9-15/h10-11,15H,5-9,12-14H2,1-4H3
InChIKeyXATFZFNCNMIMKL-UHFFFAOYSA-N
XLogP5.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-4-methyl-3H-pyridine?
The IUPAC name of 2-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-4-methyl-3H-pyridine (CID 129191352) is 2-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-4-methyl-3H-pyridine.
What is the SMILES notation for 2-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-4-methyl-3H-pyridine?
The canonical SMILES for 2-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-4-methyl-3H-pyridine is CC(C)(C)CC1(C)C=CN=C(CC2CCCCC2)C1.
What is the InChIKey of 2-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-4-methyl-3H-pyridine?
The InChIKey is XATFZFNCNMIMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-17(2,3)14-18(4)10-11-19-16(13-18)12-15-8-6-5-7-9-15/h10-11,15H,5-9,12-14H2,1-4H3.
What are the key properties of 2-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-4-methyl-3H-pyridine?
2-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-4-methyl-3H-pyridine has a molecular weight of 261.45 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)-4-methyl-3H-pyridine is sourced from PubChem (CID 129191352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).